SCHEMBL5608434

SCHEMBL5608434

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(CCc3ccccc3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.64
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GRM2 Q14416 2/20 0.48

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
SCHEMBL4147336 0.92 P2RX7 (0.61) P2RX7MEN1KMT2A
SCHEMBL4141508 0.90 P2RX7 (0.66) P2RX7MEN1KMT2A
SCHEMBL4145623 0.89 P2RX7 (0.58) P2RX7MEN1KMT2A
SCHEMBL3005979 0.88 P2RX7 (0.71) P2RX7
SCHEMBL5608896 0.87 P2RX7 (0.51) P2RX7GRM2
SCHEMBL4141994 0.86 P2RX7 (0.59) P2RX7
SCHEMBL4147712 0.85 P2RX7 (0.65) P2RX7
SCHEMBL4133030 0.84 P2RX7 (0.66) P2RX7
SCHEMBL4145373 0.84 P2RX7 (0.65) P2RX7MEN1KMT2A
SCHEMBL13243987 0.83 P2RX7 (0.64) P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed