SCHEMBL9689511

SCHEMBL9689511

Cc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(Oc4ccc(Cl)cn4)c3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9534637 0.89 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688602 0.88 MAPT (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688092 0.87 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9689113 0.85 GABRA1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9538548 0.84 GABRA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688273 0.80 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9538421 0.79 KMT2A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8802542 0.79 GABRA1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688108 0.77 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9534965 0.77 GABRA1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-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