SCHEMBL13985191

SCHEMBL13985191

O=C(Cc1nnc(-c2cc(Cl)cc(Br)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 1.00

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
SCHEMBL13985166 0.95 CALCRL (0.90) CALCRL
SCHEMBL13985175 0.95 CALCRL (1.00) CALCRL
SCHEMBL13985202 0.91 CALCRL (1.00) CALCRL
SCHEMBL13985215 0.90 CALCRL (0.89) CALCRL
SCHEMBL13985078 0.89 CALCRL (0.88) CALCRL
SCHEMBL13985206 0.89 CALCRL (0.86) CALCRL
SCHEMBL13985073 0.89 CALCRL (0.86) CALCRL
SCHEMBL13985076 0.89 CALCRL (1.00) CALCRL
SCHEMBL13985173 0.89 CALCRL (1.00) CALCRL
SCHEMBL4758235 0.88 CALCRL (0.87) 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-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed