SCHEMBL2537029

SCHEMBL2537029

C=CC=CN1CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
PIK3CD O00329 1/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL28120706 0.92 HRH3 (0.36) BRD4BRD2KMT2ACYP1A2CHRM2
Thiophene SCHEMBL28420760 0.87 ALDH1A1 (0.31)
SCHEMBL27576861 0.80
SCHEMBL2577779 0.78
SCHEMBL5473091 0.78 BRD4 (0.42) BRD4BRD2PIK3CDTSHRKMT2A
SCHEMBL10869 0.78
SCHEMBL21051154 0.76
SCHEMBL3002873 0.76
Methane SCHEMBL21774706 0.76
SCHEMBL21051147 0.76

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4696821-A Transdermal delivery system for administration of nitroglycerin WARNER-LAMBERT COMPANY (US) 1987-09-29 US claimed
CN-113136012-A Medical device and manufacturing method thereof 爱博诺德(北京)医疗科技股份有限公司 2021-07-20 CN disclosed
CN-113004803-A Polishing slurry composition capable of realizing multiple selection ratios 凯斯科技股份有限公司 2021-06-22 CN disclosed
US-10609931-B2 Mixed crystals, method for the production thereof and use thereof in the production of baked goods BASF SE (DE) 2020-04-07 US disclosed
WO-2019200768-A1 TRADITIONAL CHINESE MEDICINE COMPOSITION FOR TREATING CARDIOVASCULAR AND CEREBROVASCULAR DISEASE, PREPARATION METHOD THEREFOR AND USE THEREOF 贾洪章 2019-10-24 WO disclosed
US-20180255791-A1 MIXED CRYSTALS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF BAKED GOODS BASF SE (DE) 2018-09-13 US disclosed
US-9894905-B2 Mixed crystals, method for the production thereof and use thereof in the production of baked goods BASF SE (DE) 2018-02-20 US disclosed
US-20110257272-A1 MIXED CRYSTALS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF BAKED GOODS BASF SE (DE) 2011-10-20 US disclosed
EP-0132399-A1 Cooximetry quality control reagents Corning Glass Works (US) 1985-01-30 EP disclosed
US-3975534-A Pharmaceutical compositions useful for treating tick infestation in animals which contain 2-aryliminopyrrolidines or their salts as the active agent BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed