SCHEMBL711632

SCHEMBL711632

O=C(NCc1ccc(F)c(C(F)(F)F)c1)C1C2CN(Cc3ccc(Oc4ccccc4)cc3)CC21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.60
P2RX7 Q99572 5/20 0.54
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
DRD4 P21917 1/20 0.45
SCN9A Q15858 1/20 0.42
MAPK14 Q16539 3/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR5 Q9H228 1/20 0.42
FAAH O00519 1/20 0.41
LTA4H P09960 1/20 0.41
CHRM4 P08173 1/20 0.40
MGLL Q99685 1/20 0.40
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 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
SCHEMBL711001 0.89 MCHR1 (0.54) MCHR1P2RX7FPR3FPR2DRD4
SCHEMBL712109 0.89 MCHR1 (0.57) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL711633 0.82 DRD4 (0.47) MCHR1P2RX7DRD4S1PR5FAAH
SCHEMBL712500 0.79 P2RX7 (0.58) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL3773431 0.79 P2RX7 (0.65) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL709898 0.78 MCHR1 (0.51) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL712567 0.78 MCHR1 (0.55) MCHR1SCN9AMAPK14CHRM4
SCHEMBL3777504 0.76 MCHR1 (0.56) MCHR1SCN9AS1PR5CHRM4
SCHEMBL711060 0.76 FPR3 (0.53) MCHR1P2RX7FPR3FPR2SCN9A
SCHEMBL708601 0.76 MCHR1 (0.52) MCHR1SCN9AMAPK14CHRM4

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 5 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
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed