SCHEMBL31494493

SCHEMBL31494493

CCOc1ccc([C@H](C)Nc2nc(N3CCN(C(C)=O)CC3)nc3cnn(C(CC)CC)c23)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.59
CYP2C9 P11712 4/20 0.48
ACACB O00763 5/20 0.40
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL31494497 1.00 P2RX3 (0.59) P2RX3CYP2C9ACACBMAPTSYK
SCHEMBL20023791 1.00 P2RX3 (0.59) P2RX3CYP2C9ACACBMAPTSYK
SCHEMBL20023789 1.00 P2RX3 (0.59) P2RX3CYP2C9ACACBMAPTSYK
SCHEMBL20023805 0.92 P2RX3 (0.49) P2RX3CYP2C9ACACBMAPTSYK
SCHEMBL31494473 0.92 P2RX3 (0.49) P2RX3CYP2C9ACACBMAPTSYK
SCHEMBL30446863 0.87 P2RX3 (0.49) P2RX3CYP2C9
SCHEMBL20023798 0.87 P2RX3 (0.49) P2RX3CYP2C9
SCHEMBL30447003 0.84 P2RX3 (0.60) P2RX3CYP2C9MAPTSYK
SCHEMBL20023779 0.84 P2RX3 (0.60) P2RX3CYP2C9MAPTSYK
SCHEMBL20026872 0.83 P2RX3 (0.41) P2RX3CYP2C9

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
EP-3528813-B1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEV 1 INC (US) 2025-04-16 EP claimed