SCHEMBL10169765

SCHEMBL10169765

C[C@H](CN)n1ccc2c(C(=O)NCC3(O)CCC(C)(F)CC3)c(Cl)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.40
IL1B P01584 1/20 0.35

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
SCHEMBL10169766 0.91 P2RX7 (0.40) P2RX7IL1B
SCHEMBL8139994 0.89 P2RX7 (0.44) P2RX7IL1B
SCHEMBL8133646 0.89 P2RX7 (0.52) P2RX7IL1B
SCHEMBL10169770 0.88 P2RX7 (0.41) P2RX7IL1B
SCHEMBL8133081 0.86 P2RX7 (0.46) P2RX7IL1B
SCHEMBL8139317 0.85 P2RX7 (0.46) P2RX7IL1B
SCHEMBL306897 0.85 P2RX7 (0.40) P2RX7
SCHEMBL306557 0.85 P2RX7 (0.40) P2RX7
SCHEMBL305924 0.84 P2RX7 (0.39) P2RX7
SCHEMBL305914 0.84 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 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