SCHEMBL4449527

SCHEMBL4449527

C[C@@H](O)Cn1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)c(F)c3)c(C3CC3)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.59
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NTRK1 P04629 3/20 0.37
TRPA1 O75762 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL4441990 0.88 P2RX7 (0.76) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4442516 0.88 P2RX7 (0.76) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL306699 0.85 P2RX7 (0.78) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL306698 0.85 P2RX7 (0.78) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL12702895 0.85 P2RX7 (0.68) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL308204 0.82 P2RX7 (0.63) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL308203 0.82 P2RX7 (0.63) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4443491 0.79 P2RX7 (0.69) P2RX7CSF1RPDGFRBPDGFRANTRK1
SCHEMBL4440132 0.78 P2RX7 (0.61) P2RX7ENPP2
SCHEMBL306908 0.75 P2RX7 (0.82) 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 2 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 disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed