SCHEMBL10375466

SCHEMBL10375466

CCOCc1cccc2[nH]c3cnc(-c4nc(CC)no4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
APLNR P35414 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10376617 0.83 PLAT (0.35) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10375472 0.80 GABRA1 (0.43) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10376245 0.80 GABRA1 (0.33) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9687528 0.80 OPRL1 (0.32) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7491336 0.79 GABRP (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10374196 0.78 GABRA1 (0.39) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9687853 0.77 MEN1 (0.36) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9688595 0.76 OPRL1 (0.37) OPRL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10374410 0.75 KMT2A (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534379 0.74 MAPT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0161574-B1 NEW B-CARBOLINE-3-OXADIAZOLYL DERIVATIVES, METHOD OF PREPARING THE SAME AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-04 EP disclosed
US-4645773-A MUSCLE RELAXANTS, ANTIEPILEPTIC AGENTS, SEDATIVES, TRANQUILIZERS SCHERING AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed