SCHEMBL13071192

SCHEMBL13071192

CBc1ccnc(OCCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
CYP2D6 P10635 11/20 0.39
CYP3A4 P08684 6/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4101483 0.77 TSHR (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10187322 0.77 CRHR1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10338079 0.77 CYP2D6 (0.50) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2757142 0.75 PDGFRB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL469910 0.75 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13154833 0.72 ACACB (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7320740 0.71 ACACB (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2358097 0.70 SOAT1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2357938 0.70 NR5A1 (0.49) CYP2D6CYP3A4MEN1ALDH1A1LMNA
SCHEMBL7151514 0.70 SOAT1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed