SCHEMBL5509516

SCHEMBL5509516

CCCCCCCN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SLC6A9 P48067 2/20 0.46
DDR1 Q08345 2/20 0.45
CCR2 P41597 1/20 0.44
CACNA1H O95180 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR4 Q13639 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
SMPD1 P17405 3/20 0.42
CCR3 P51677 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
SCHEMBL5506744 0.88 NAMPT (0.49) NAMPTSLC6A9DDR1CCR2CACNA1H
Hydrochloric Acid SCHEMBL710199 0.87 NAMPT (0.48) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL5510879 0.87 CACNA1H (0.60) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL5510523 0.87 GPR139 (0.49) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL3775181 0.86 NAMPT (0.51) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL5517618 0.86 NAMPT (0.48) NAMPTSLC6A9CCR2CACNA1HGPR139
SCHEMBL5507919 0.85 NAMPT (0.44) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL5510670 0.85 CCR2 (0.51) NAMPTCCR2CHRM3MCHR1DRD2
SCHEMBL5512495 0.84 POLB (0.48) NAMPTSLC6A9DDR1CCR2CACNA1H
SCHEMBL5518315 0.84 GPR139 (0.47) NAMPTSLC6A9DDR1CCR2CACNA1H

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