SCHEMBL4010288

SCHEMBL4010288

O=C(Cn1cc(-c2ccccc2Cl)c2c(-c3cccnc3)ncnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.54

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
SCHEMBL4010493 0.95 CALCRL (0.56) CALCRL
SCHEMBL4003427 0.88 CALCRL (0.57) CALCRL
SCHEMBL4006748 0.87 CALCRL (0.56) CALCRL
SCHEMBL4008402 0.87 CALCRL (0.56) CALCRL
SCHEMBL13769399 0.86 CALCRL (0.54) CALCRL
SCHEMBL4005494 0.86 CALCRL (0.55) CALCRL
SCHEMBL4013384 0.86 CALCRL (0.57) CALCRL
SCHEMBL13769952 0.86 CALCRL (0.57) CALCRL
SCHEMBL13769691 0.86 CALCRL (0.58) CALCRL
SCHEMBL13769702 0.85 CALCRL (0.55) CALCRL

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
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed