SCHEMBL10169772

SCHEMBL10169772

C[C@H](CN)n1ccc2c(C(=O)NCC3CCCC(C)(F)C3)c(Cl)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.46
IL1B P01584 3/20 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
SCHEMBL8148011 0.93 P2RX7 (0.53) P2RX7IL1B
SCHEMBL10169773 0.93 P2RX7 (0.47) P2RX7IL1B
SCHEMBL8132875 0.88 P2RX7 (0.52) P2RX7IL1B
SCHEMBL8123607 0.86 P2RX7 (0.54) P2RX7IL1B
SCHEMBL8139257 0.86 P2RX7 (0.54) P2RX7IL1B
SCHEMBL8140671 0.84 P2RX7 (0.43) P2RX7
SCHEMBL10169767 0.83 P2RX7 (0.40) P2RX7
SCHEMBL8132877 0.81 P2RX7 (0.52) P2RX7IL1B
SCHEMBL10169765 0.80 P2RX7 (0.40) P2RX7IL1B
SCHEMBL305529 0.80 P2RX7 (0.54) P2RX7IL1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed