SCHEMBL10706239

SCHEMBL10706239

C=C(C)CN(CC(=C)C)c1ccc2[nH]c3cnc(C(=O)OCC)cc3c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.63
GABRG2 P18507 14/20 0.63
GABRB3 P28472 14/20 0.63
GABRA5 P31644 14/20 0.63
GABRA3 P34903 14/20 0.63
GABRA2 P47869 14/20 0.63
GABRA4 P48169 12/20 0.63
GABRA6 Q16445 11/20 0.63
GABRP O00591 5/20 0.62
GABRD O14764 5/20 0.62
GABRB1 P18505 5/20 0.62
GABRB2 P47870 5/20 0.62
GABRE P78334 5/20 0.62
GABRG1 Q8N1C3 5/20 0.62
GABRG3 Q99928 5/20 0.62
GABRQ Q9UN88 5/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 2/20 0.62

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
SCHEMBL10709309 0.85 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7489889 0.85 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10704786 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10708726 0.83 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10862361 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10708382 0.82 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10860358 0.82 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7493399 0.80 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7493394 0.80 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7378899 0.80 GABRA1 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054507-B1 3-SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
US-4596808-A Nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4435403-A TRANQUILIZERS SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0054507-A2 3-Substituted beta-carbolines, process for their production and compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-23 EP disclosed