SCHEMBL4556544

SCHEMBL4556544

[CH2][C@H](C)n1ccc2c(C(=O)NCC3(O)CCCCCC3)c(Cl)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.47

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
SCHEMBL306895 0.89 P2RX7 (0.46) P2RX7
SCHEMBL307485 0.89 P2RX7 (0.46) P2RX7
SCHEMBL308133 0.89 P2RX7 (0.46) P2RX7
SCHEMBL306616 0.85 P2RX7 (0.43) P2RX7
SCHEMBL306615 0.85 P2RX7 (0.43) P2RX7
SCHEMBL8140674 0.83 P2RX7 (0.55) P2RX7
SCHEMBL8140694 0.82 P2RX7 (0.38) P2RX7
SCHEMBL306897 0.82 P2RX7 (0.40) P2RX7
SCHEMBL306557 0.82 P2RX7 (0.40) P2RX7
SCHEMBL305924 0.81 P2RX7 (0.39) P2RX7

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