SCHEMBL4991208

SCHEMBL4991208

CC(C1CCNCC1)n1ccc2c(NC(=O)CC34CC5CC(C)(CC(C)(C5)C3)C4)cccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.58
KMT2A Q03164 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
SCHEMBL4992327 0.90 P2RX7 (0.71) P2RX7
SCHEMBL13243887 0.85 P2RX7 (0.78) P2RX7KMT2A
SCHEMBL13243889 0.85 P2RX7 (0.78) P2RX7KMT2A
SCHEMBL13243898 0.85 P2RX7 (0.62) P2RX7KMT2A
SCHEMBL4154127 0.85 P2RX7 (0.76) P2RX7KMT2A
SCHEMBL13243896 0.84 P2RX7 (0.61) P2RX7KMT2A
SCHEMBL4144706 0.84 P2RX7 (0.60) P2RX7KMT2A
SCHEMBL3012988 0.84 P2RX7 (0.59) P2RX7
SCHEMBL4141988 0.84 P2RX7 (0.60) P2RX7KMT2A
SCHEMBL4999031 0.81 P2RX7 (0.54) P2RX7KMT2A

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