SCHEMBL231127

SCHEMBL231127

CN(c1ccccn1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.57
CYP2C19 P33261 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
CHRM2 P08172 4/20 0.47
ADRA2A P08913 4/20 0.47
DRD1 P21728 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
KCNH2 Q12809 4/20 0.47
SLC6A2 P23975 3/20 0.47
HTR2A P28223 3/20 0.47
HRH1 P35367 3/20 0.47
ADRA1A P35348 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 1/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Hydrochloric Acid SCHEMBL6775520 0.97 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Methane SCHEMBL28533749 0.97 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL30695438 0.91 CYP2D6 (0.50) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL4904986 0.91 CYP2D6 (0.50) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL4805106 0.86 CYP2D6 (0.50) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL22931657 0.85 CYP2D6 (0.46) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL4509968 0.84 CYP2D6 (0.48) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL2085181 0.84 CYP2D6 (0.48) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL364 0.84
SCHEMBL29635663 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119487044-A Novel mercaptan reducing agent and preparation method and application thereof 苏州佰睿壹生物技术有限公司 2025-02-18 CN claimed
CN-119365471-A Novel thiol reducing agents, methods and uses thereof 苏州佰睿壹生物技术有限公司 2025-01-24 CN claimed
CN-119350307-A Selective cell nucleus ATP small molecule probe and preparation method and application thereof 上海泓博智源医药股份有限公司 2025-01-24 CN claimed
CN-115282939-B Method and system for recycling cobalt-manganese catalyst in high-selectivity iron removal resin and PTA wastewater 南京大学 2024-06-28 CN claimed
CN-115466340-B Photosensitive component and its use in photoinitiated free radical polymerization 东北林业大学 2024-03-26 CN claimed
CN-116371366-A Nanometer magnetosome for broad spectrum enrichment of bacteria and preparation method and application thereof 广东千祺生物科技有限公司 2023-07-04 CN claimed
CN-115466340-A Photosensitive component and application thereof in photo-initiated free radical polymerization 东北林业大学 2022-12-13 CN claimed
CN-112574742-B Dipyridyl methyl amine carbon quantum dot and synthesis method and application thereof 南京医科大学 2022-01-04 CN claimed
CN-109692666-B Lead imprinted silicon material with tridentate chelating adsorption sites and preparation method and application thereof 复旦大学 2021-09-17 CN claimed
CN-112574742-A Dipyridyl methyl amine carbon quantum dot and synthesis method and application thereof 南京医科大学 2021-03-30 CN claimed
CN-107158378-B Copper-manganese sulfide protein composite nanoparticle for photothermal effect and preparation method thereof 江苏大学 2021-02-12 CN claimed
CN-110963995-B Double-color fluorescent probe and synthetic method and application thereof 山东师范大学 2020-11-20 CN claimed
CN-108164456-B Amide metal ion fluorescent probe and preparation method and application thereof 洛阳师范学院 2020-11-13 CN claimed
CN-111807454-A Method for deeply purifying impurity nickel in cobalt sulfate electrolyte 河南科技大学 2020-10-23 CN claimed
CN-109010841-B Nano medicine and its synthesis 河南大学 2020-06-05 CN claimed
CN-110963995-A Double-color fluorescent probe and synthetic method and application thereof 山东师范大学 2020-04-07 CN claimed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
US-5708022-A RUTHENIUM COMPLEXES PROCEPT, INC. (US) 1998-01-13 US claimed
CN-121850936-A Zn-DPA complex and preparation method and application thereof 内蒙古大学 2026-04-14 CN disclosed
EP-0517542-A1 Organic electroluminescence devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-12-09 EP disclosed