SCHEMBL9688616

SCHEMBL9688616

COCc1c(C(=O)O)ncc2[nH]c3cccc(Oc4ccc(Cl)cn4)c3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.54
GABRG2 P18507 13/20 0.54
GABRB3 P28472 13/20 0.54
GABRA5 P31644 13/20 0.54
GABRA3 P34903 13/20 0.54
GABRA2 P47869 11/20 0.54
GABRP O00591 10/20 0.54
GABRD O14764 10/20 0.54
GABRB1 P18505 10/20 0.54
GABRB2 P47870 10/20 0.54
GABRA4 P48169 10/20 0.54
GABRE P78334 10/20 0.54
GABRA6 Q16445 10/20 0.54
GABRG1 Q8N1C3 10/20 0.54
GABRG3 Q99928 10/20 0.54
GABRQ Q9UN88 10/20 0.54
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9687594 0.89 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8849695 0.89 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688590 0.88 GABRA5 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689355 0.88 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688661 0.88 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689493 0.87 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10750275 0.86 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10750046 0.85 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688273 0.85 GABRP (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689486 0.85 GABRA5 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed