SCHEMBL14889213

SCHEMBL14889213

COCCN(CCC1CNCCO1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB2 P47870 4/20 0.52
▸ GABRA1 P14867 3/20 0.52
▸ ALB P02768 2/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ GABRA2 P47869 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TSPO P30536 4/20 0.44
▸ NR1I2 O75469 1/20 0.44

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 SCHEMBL14889113 0.99 GABRB2 (0.51) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL14889196 0.90 KDM4E (0.39) GABRB2GABRA1ALBOPRK1KCNH2
Hydrochloric Acid SCHEMBL14889270 0.89 KDM4E (0.38) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL14889212 0.83 GABRA1 (0.50) GABRB2GABRA1ALBOPRK1KCNH2
Hydrochloric Acid SCHEMBL14889111 0.82 GABRA1 (0.49) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL12072651 0.79 GABRB2 (0.56) GABRB2GABRA1ALBOPRK1KCNH2
Hydrochloric Acid SCHEMBL25415233 0.78 GABRB2 (0.56) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL14889195 0.73 GABRA1 (0.38) GABRB2GABRA1ALBOPRK1KCNH2
Hydrochloric Acid SCHEMBL14889269 0.73 GABRA1 (0.37) GABRB2GABRA1ALBOPRK1KCNH2
Zolpidem SCHEMBL5606185 0.70 GABRB2 (1.00) GABRB2GABRA1ALBOPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586780-B1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-03-22 — — EP disclosed
EP-2586780-A1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2013-05-01 — — EP disclosed
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