SCHEMBL4441990

SCHEMBL4441990

C[C@H](O)Cn1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)c(F)c3)c(Cl)ccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.76
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NTRK1 P04629 3/20 0.39
SCD O00767 1/20 0.35

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
SCHEMBL4442516 1.00 P2RX7 (0.76) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4440132 0.91 P2RX7 (0.61) P2RX7
SCHEMBL4449527 0.88 P2RX7 (0.59) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4440942 0.87 P2RX7 (0.57) P2RX7
SCHEMBL307049 0.86 P2RX7 (1.00) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4443575 0.86 P2RX7 (0.55) P2RX7SCD
SCHEMBL4442126 0.85 P2RX7 (0.55) P2RX7
SCHEMBL306977 0.84 P2RX7 (0.84) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL305888 0.84 P2RX7 (0.84) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL305887 0.84 P2RX7 (0.84) P2RX7CSF1RPDGFRBPDGFRANTRK1

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-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO claimed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed