SCHEMBL4440132

SCHEMBL4440132

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.61
ANO1 Q5XXA6 1/20 0.39
CACNA1H O95180 4/20 0.38
CACNA1G O43497 3/20 0.38
CACNA1I Q9P0X4 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ENPP2 Q13822 1/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL4443575 0.91 P2RX7 (0.55) P2RX7
SCHEMBL4442516 0.91 P2RX7 (0.76) P2RX7
SCHEMBL4441990 0.91 P2RX7 (0.76) P2RX7
SCHEMBL4440942 0.86 P2RX7 (0.57) P2RX7
SCHEMBL4442126 0.84 P2RX7 (0.55) P2RX7
SCHEMBL305293 0.82 P2RX7 (0.69) P2RX7ANO1CACNA1HCACNA1GCACNA1I
SCHEMBL27797216 0.82 P2RX7 (0.69) P2RX7ANO1CACNA1HCACNA1GCACNA1I
SCHEMBL4449527 0.78 P2RX7 (0.59) P2RX7ENPP2
SCHEMBL306900 0.77 P2RX7 (0.78) P2RX7ANO1
SCHEMBL14407706 0.77 P2RX7 (0.78) P2RX7ANO1

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