SCHEMBL13769716

SCHEMBL13769716

CC(C)(O)c1ncnc2c1c(-c1cccc(Cl)c1Cl)cn2CC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.56

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
SCHEMBL13770229 0.93 CALCRL (0.56) CALCRL
SCHEMBL13770230 0.90 CALCRL (0.58) CALCRL
SCHEMBL4007941 0.90 CALCRL (0.60) CALCRL
SCHEMBL13770231 0.89 CALCRL (0.57) CALCRL
SCHEMBL4012303 0.89 CALCRL (0.58) CALCRL
SCHEMBL4012312 0.88 CALCRL (0.56) CALCRL
SCHEMBL13769717 0.87 CALCRL (0.55) CALCRL
SCHEMBL13769988 0.86 CALCRL (0.54) CALCRL
SCHEMBL13769990 0.86 CALCRL (0.57) CALCRL
SCHEMBL13769779 0.85 CALCRL (0.56) 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