SCHEMBL21533

SCHEMBL21533

CNC(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CHRM2 P08172 2/20 0.54
ADRA1A P35348 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALOX15 P16050 2/20 0.54
ALOX12 P18054 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RGS12 O14924 1/20 0.54
GLA P06280 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2C P18825 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR2A P28223 1/20 0.54
THPO P40225 1/20 0.54
GNAI1 P63096 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4318 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL6133 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
Methane SCHEMBL28682583 0.97 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
Hydrochloric Acid SCHEMBL28141900 0.97 KMT2A (0.56) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL13824244 0.87 ADRA2C (0.53) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL11296451 0.85 PTGS2 (0.50) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL8693501 0.80 ACACB (0.57) ALOX12TSHRHTR2ASLC6A4ALDH1A1
SCHEMBL2390659 0.80 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL8437895 0.80 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL28869351 0.80 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 987 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093792-A1 METHOD AND DEVICE FOR MAPPING OPERATING CONDITIONS OF MINI WIND TURBINES UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2025-05-08 WO claimed
CN-118688315-A Multichannel high-coverage synchronous quantification method for amino-containing and hydroxyl-containing compounds 复旦大学 2024-09-24 CN claimed
CN-113945675-B Method for detecting trace amine based on DIPP derivatization-HPLC-Chip/QQQ-MS and application thereof 澳门科技大学 2024-04-02 CN claimed
CN-117681051-A Online identification method for uneven wear of end mill 江苏科技大学 2024-03-12 CN claimed
WO-2024033454-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO claimed
WO-2023052667-A1 HIGH-PERFORMANCE CONSTELLATIONS IN A MULTI-USER COMMUNICATION SYSTEM WITH NON-COHERENT DETECTION UNIVERSIDAD CARLOS III DE MADRID (ES) 2023-04-06 WO claimed
US-20230095676-A1 METHOD FOR MULTI-TASK-BASED PREDICTING MASSIVEUSER LOADS BASED ON MULTI-CHANNEL CONVOLUTIONAL NEURAL NETWORK HOHAI UNIVERSITY (CN) 2023-03-30 US claimed
CN-114518350-A Fluorescent sensor and application thereof in detecting gas-phase organic amine compounds 吉林大学 2022-05-20 CN claimed
US-11261282-B2 PEO-PPO-PEO triblock bipolymers, with amphoteric endings, as demulsifying agents for heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2022-03-01 US claimed
CN-109336887-B Benzimidazole chiral heterocyclic compound and preparation method and application thereof 中山大学 2021-12-17 CN claimed
US-20070049642-A1 Method and apparatus for producing synergistic biocide THE BANK OF NEW YORK MELLON TRUST COMPANY, N.A., AS NOTES COLLATERAL AGENT 2007-03-01 US claimed
WO-2007025087-A2 A SYNERGISTIC BIOCIDE AND PROCESS FOR CONTROLLING GROWTH OF MICROORGANISMS HERCULES INCORPORATED (US) 2007-03-01 WO claimed
WO-2004018368-A1 SYNERGISTIC BIOCIDAL MIXTURES HERCULES INCORPORATED (US) 2004-03-04 WO claimed
US-20040035803-A1 Synergistic biocidal mixtures SOLENIS TECHNOLOGIES, L.P. 2004-02-26 US claimed
EP-1391430-A1 Synergistic biocidal mixtures HERCULES INCORPORATED (US) 2004-02-25 EP claimed
US-5281750-A Deracemization and optical inversion using polymer supports RHONE-POULENC CHIMIE (FR) 1994-01-25 US claimed
US-4778896-A Process for the preparation of 5-chloromethylpyridines BAYER AKTIENGESELLSCHAFT (DE) 1988-10-18 US claimed
EP-0200211-A1 Diagnostic radiopharmaceutical compounds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1986-11-05 EP claimed
EP-0007834-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALPHA-AMINO ACIDS AND THEIR DERIVATIVES ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1983-05-11 EP claimed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP claimed