SCHEMBL10169770

SCHEMBL10169770

CC1CCC(O)(CNC(=O)c2c(Cl)ccc3c(=O)n([C@H](C)CN)ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.41
RORC P51449 6/20 0.35
IL1B P01584 2/20 0.34

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
SCHEMBL8139994 0.92 P2RX7 (0.44) P2RX7IL1B
SCHEMBL10169771 0.91 P2RX7 (0.41) P2RX7RORCIL1B
SCHEMBL10169765 0.88 P2RX7 (0.40) P2RX7IL1B
SCHEMBL8133646 0.85 P2RX7 (0.52) P2RX7IL1B
SCHEMBL10169767 0.84 P2RX7 (0.40) P2RX7
SCHEMBL306897 0.83 P2RX7 (0.40) P2RX7
SCHEMBL306557 0.83 P2RX7 (0.40) P2RX7
SCHEMBL8125277 0.83 P2RX7 (0.44) P2RX7IL1B
SCHEMBL308572 0.82 P2RX7 (0.41) P2RX7RORC
SCHEMBL306309 0.82 P2RX7 (0.41) P2RX7RORC

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