SCHEMBL9538117

SCHEMBL9538117

COCc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(Oc4ccccc4Cl)c3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.60
GABRG2 P18507 17/20 0.60
GABRB3 P28472 17/20 0.60
GABRA5 P31644 17/20 0.60
GABRA3 P34903 17/20 0.60
GABRA2 P47869 15/20 0.60
GABRA6 Q16445 14/20 0.60
GABRB2 P47870 12/20 0.60
GABRA4 P48169 12/20 0.60
GABRP O00591 11/20 0.60
GABRD O14764 11/20 0.60
GABRB1 P18505 11/20 0.60
GABRE P78334 11/20 0.60
GABRG1 Q8N1C3 11/20 0.60
GABRG3 Q99928 11/20 0.60
GABRQ Q9UN88 11/20 0.60
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8845236 0.89 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533643 0.89 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
Gedocarnil SCHEMBL194687 0.88 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
Gedocarnil SCHEMBL29388645 0.88 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534998 0.88 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10750046 0.88 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623816 0.88 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689355 0.87 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389601 0.87 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689446 0.86 GABRA1 (0.61) 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-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP claimed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US claimed