SCHEMBL4763412

SCHEMBL4763412

Cc1c(C(=O)NC(C)CN2CCN(c3ncccn3)CC2)cc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.51

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
SCHEMBL4790332 0.93
SCHEMBL4763159 0.81 TRPV4 (0.62)
SCHEMBL9998699 0.77
SCHEMBL4791983 0.74 ALDH1A1 (0.54)
SCHEMBL4792650 0.74
SCHEMBL4791130 0.72 POLB (0.54)
SCHEMBL4762914 0.71 DRD2 (0.54)
SCHEMBL4763378 0.71 KDM4E (0.54)
SCHEMBL2356971 0.71 P2RX3 (0.51)
SCHEMBL11962153 0.69 PLK1 (1.00) PLK1

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