SCHEMBL14017175

SCHEMBL14017175

C#Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.54
RAMP1 O60894 4/20 0.54
CALCA P06881 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
SCHEMBL14017265 0.93 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL14017158 0.90 CALCRL (0.56) CALCRLRAMP1CALCA
SCHEMBL3311446 0.89 CALCRL (0.69) CALCRLRAMP1CALCA
SCHEMBL14017258 0.88 CALCRL (0.63) CALCRLRAMP1
SCHEMBL14017168 0.88 CALCRL (0.63) CALCRLRAMP1CALCA
SCHEMBL14017167 0.88 CALCRL (0.52) CALCRLRAMP1CALCA
SCHEMBL14016941 0.88 CALCRL (0.67) CALCRLRAMP1
SCHEMBL14017151 0.88 CALCRL (0.64) CALCRLRAMP1
SCHEMBL14016950 0.88 CALCRL (0.61) CALCRLRAMP1
SCHEMBL13331920 0.87 CALCRL (0.65) CALCRLRAMP1CALCA

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
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed