SCHEMBL4440942

SCHEMBL4440942

C[C@@H](O)Cn1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(Cl)ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.57
NLRP3 Q96P20 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
RORC P51449 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL4442126 0.90 P2RX7 (0.55) P2RX7POLBKDM4EALDH1A1LMNA
SCHEMBL4442516 0.87 P2RX7 (0.76) P2RX7
SCHEMBL4441990 0.87 P2RX7 (0.76) P2RX7
SCHEMBL4443575 0.87 P2RX7 (0.55) P2RX7POLBKDM4EALDH1A1LMNA
SCHEMBL4440132 0.86 P2RX7 (0.61) P2RX7
SCHEMBL27776437 0.83 P2RX7 (0.63) P2RX7NLRP3CNR2POLBLMNA
SCHEMBL306808 0.83 P2RX7 (0.63) P2RX7NLRP3CNR2POLBLMNA
SCHEMBL305747 0.83 P2RX7 (0.58) P2RX7NLRP3CNR2POLBLMNA
SCHEMBL305748 0.83 P2RX7 (0.58) P2RX7NLRP3CNR2POLBLMNA
SCHEMBL306152 0.83 P2RX7 (0.58) P2RX7NLRP3CNR2POLBLMNA

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 claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO claimed