SCHEMBL5506744

SCHEMBL5506744

CCN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SLC6A9 P48067 3/20 0.49
KCNH2 Q12809 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
CCR2 P41597 1/20 0.48
GPR139 Q6DWJ6 1/20 0.48
CHRM3 P20309 1/20 0.47
DDR1 Q08345 2/20 0.47
KAT6A Q92794 3/20 0.45
CYP2D6 P10635 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
CACNA1H O95180 1/20 0.43
MCHR1 Q99705 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
Hydrochloric Acid SCHEMBL710199 0.99 NAMPT (0.48) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5512495 0.90 POLB (0.48) NAMPTSLC6A9TAS1R3TAS1R1TAS1R2
SCHEMBL3775181 0.89 NAMPT (0.51) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5510224 0.89 GPR139 (0.46) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5512182 0.89 CCR2 (0.55) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5510629 0.89 NAMPT (0.47) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5512693 0.89 GPR139 (0.50) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL15967076 0.88 GPR139 (0.48) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5509516 0.88 NAMPT (0.49) NAMPTSLC6A9KCNH2TAS1R3TAS1R1
SCHEMBL5517992 0.88 NAMPT (0.46) NAMPTSLC6A9KCNH2TAS1R3TAS1R1

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