SCHEMBL5517992

SCHEMBL5517992

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CCR2 P41597 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
PIM1 P11309 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
CHRM3 P20309 1/20 0.44
DDR1 Q08345 2/20 0.42
SLC6A9 P48067 2/20 0.41
CACNA1H O95180 1/20 0.41
MCHR1 Q99705 2/20 0.41
FYN P06241 1/20 0.41
KCNH2 Q12809 1/20 0.41
KAT6A Q92794 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HTR2C P28335 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL5530668 0.91 NAMPT (0.46) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL15966927 0.91 NAMPT (0.44) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5509495 0.89 CCR2 (0.44) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5512178 0.88 GPR139 (0.44) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL15967025 0.88 GPR139 (0.44) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5511261 0.88 GPR139 (0.46) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5506744 0.88 NAMPT (0.49) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5509339 0.87 TAS1R3 (0.43) NAMPTCCR2TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL710199 0.87 NAMPT (0.48) NAMPTCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5510550 0.87 GPR139 (0.43) NAMPTCCR2TAS1R3TAS1R1TAS1R2

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