SCHEMBL5506741

SCHEMBL5506741

Fc1ccc(CNCC2C3CN(CC4CCCC4)CC23)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
P2RX7 Q99572 3/20 0.40
CTSD P07339 5/20 0.39
EPHX1 P07099 1/20 0.37
PTPN7 P35236 3/20 0.36
DUSP3 P51452 3/20 0.36
MMP13 P45452 2/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
NPY1R P25929 1/20 0.34
NPY5R Q15761 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL5510202 0.96 JAK2 (0.46) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL3773846 0.84 P2RX7 (0.47) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL712501 0.82 P2RX7 (0.43) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL3773434 0.82 P2RX7 (0.48) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL5513143 0.81 OPRM1 (0.45) OPRM1OPRK1OPRL1
SCHEMBL711061 0.79 P2RX7 (0.39) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL5506740 0.78 TAS1R3 (0.48)
SCHEMBL712110 0.78 TEAD1 (0.46) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL711147 0.77 P2RX7 (0.42) JAK2JAK1TYK2JAK3P2RX7
SCHEMBL3777751 0.77 CXCR4 (0.49)

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