SCHEMBL5512178

SCHEMBL5512178

CCC(C)N(C)C(=O)CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.44
NAMPT P43490 1/20 0.42
CCR2 P41597 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CHRM3 P20309 1/20 0.41
DDR1 Q08345 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
SLC6A9 P48067 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX5 P09917 2/20 0.38
EPHX2 P34913 2/20 0.38
CBLB Q13191 1/20 0.37
SCN9A Q15858 1/20 0.37
FYN P06241 1/20 0.37
MCHR1 Q99705 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL5517992 0.88 NAMPT (0.46) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5511261 0.88 GPR139 (0.46) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5510639 0.87 GPR139 (0.44) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5530668 0.85 NAMPT (0.46) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL15966927 0.85 NAMPT (0.44) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5513284 0.85 GPR139 (0.52) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL15967076 0.85 GPR139 (0.48) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5512180 0.84 SLC6A9 (0.44) SLC6A9KCNH2EPHX2
SCHEMBL5506744 0.84 NAMPT (0.49) GPR139NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5510224 0.84 GPR139 (0.46) GPR139NAMPTCCR2TAS1R3TAS1R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed