SCHEMBL5512693

SCHEMBL5512693

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.50
NAMPT P43490 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CCR2 P41597 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM3 P20309 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DDR1 Q08345 2/20 0.43
HTR4 Q13639 2/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A9 P48067 1/20 0.42
CACNA1H O95180 2/20 0.41
CBLB Q13191 1/20 0.41
MCHR1 Q99705 2/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
KAT6A Q92794 1/20 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
SCHEMBL15967076 0.91 GPR139 (0.48) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5510523 0.91 GPR139 (0.49) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5518315 0.91 GPR139 (0.47) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5510224 0.90 GPR139 (0.46) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL15967043 0.90 GPR139 (0.55) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5518242 0.90 GPR139 (0.46) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5506744 0.89 NAMPT (0.49) GPR139NAMPTTAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL710199 0.88 NAMPT (0.48) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5509528 0.88 GPR139 (0.52) GPR139NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5513284 0.87 GPR139 (0.52) GPR139NAMPTTAS1R3TAS1R1TAS1R2

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