SCHEMBL4994112

SCHEMBL4994112

CCC(C1CCCN1)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.66
P2RX3 P56373 1/20 0.39

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
SCHEMBL4999031 0.91 P2RX7 (0.54) P2RX7
SCHEMBL13243837 0.80 P2RX7 (0.72) P2RX7P2RX3
SCHEMBL4992327 0.80 P2RX7 (0.71) P2RX7P2RX3
SCHEMBL13243838 0.79 P2RX7 (0.71) P2RX7P2RX3
SCHEMBL4140984 0.79 P2RX7 (1.00) P2RX7
SCHEMBL4140614 0.79 P2RX7 (1.00) P2RX7
SCHEMBL4144851 0.79 P2RX7 (1.00) P2RX7
SCHEMBL4132829 0.79 P2RX7 (1.00) P2RX7
SCHEMBL13243972 0.79 P2RX7 (0.79) P2RX7P2RX3
SCHEMBL4995575 0.79 P2RX7 (1.00) 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-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed