SCHEMBL5517618

SCHEMBL5517618

O=C(NCC1C2CN(CCCc3ccccc3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
CHRM3 P20309 1/20 0.47
MAPK14 Q16539 1/20 0.46
CCR2 P41597 1/20 0.46
CCR3 P51677 1/20 0.45
SCN9A Q15858 1/20 0.45
CHRM4 P08173 2/20 0.45
GPR139 Q6DWJ6 1/20 0.45
KAT6A Q92794 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.44
MCHR1 Q99705 2/20 0.44
SLC6A9 P48067 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HTR2C P28335 1/20 0.42
DRD4 P21917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1H O95180 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
SCHEMBL5511231 0.94 NAMPT (0.50) NAMPTCHRM3MAPK14CCR2SCN9A
SCHEMBL5506923 0.86 MCHR1 (0.50) NAMPTCHRM3CCR2GPR139MCHR1
SCHEMBL5509516 0.86 NAMPT (0.49) NAMPTCHRM3CCR2CCR3GPR139
SCHEMBL5510550 0.84 GPR139 (0.43) NAMPTCHRM3MAPK14CCR2SCN9A
SCHEMBL5510879 0.84 CACNA1H (0.60) NAMPTCHRM3CCR2GPR139KAT6A
SCHEMBL5510523 0.84 GPR139 (0.49) NAMPTCHRM3CCR2CHRM4GPR139
SCHEMBL15967183 0.84 GPR139 (0.55) NAMPTCHRM3MAPK14CCR2GPR139
SCHEMBL5506744 0.83 NAMPT (0.49) NAMPTCHRM3MAPK14CCR2GPR139
SCHEMBL5509369 0.83 CCR2 (0.53) NAMPTCHRM3MAPK14CCR2CHRM4
SCHEMBL5511190 0.83 CCR2 (0.53) NAMPTCHRM3MAPK14CCR2CCR3

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