SCHEMBL28166124

SCHEMBL28166124

CCc1nc(Cl)c(C(=O)OC)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL16616923 0.92 NPC1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28166140 0.88 HSD17B10 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4184727 0.87 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616332 0.87 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4184724 0.80 NPC1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616389 0.80 SMN1; SMN2 (0.42) KDM4ENPC1RAB9AKMT2ARXFP1
SCHEMBL16879884 0.79 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16624279 0.78 NPC1 (0.47) KDM4ENPC1RAB9AKMT2ARXFP1
SCHEMBL29746408 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4164161 0.75 HSP90AA1 (0.41) 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
CN-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN disclosed