SCHEMBL4791982

SCHEMBL4791982

CCn1nc(-c2ccccc2C)c2cc(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)sc21

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50

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
SCHEMBL4763232 0.90 P2RX3 (0.62) P2RX3
SCHEMBL4760984 0.82 P2RX3 (0.61) P2RX3
SCHEMBL4762047 0.68 P2RX3 (0.69) P2RX3
SCHEMBL25218655 0.67 P2RX3 (1.00) P2RX3
SCHEMBL4761800 0.67 P2RX3 (1.00) P2RX3
SCHEMBL4762256 0.65 MEN1 (0.53)
SCHEMBL9998699 0.65
SCHEMBL4763412 0.64 PLK1 (0.51)
SCHEMBL2356971 0.64 P2RX3 (0.51) P2RX3
SCHEMBL5462933 0.64 P2RX3 (0.53) P2RX3

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-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed