SCHEMBL3960086

SCHEMBL3960086

NCC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.55
RAMP1 O60894 2/20 0.55

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
SCHEMBL19874018 0.89 CALCRL (0.54) CALCRLRAMP1
SCHEMBL27571685 0.89 CALCRL (0.51) CALCRLRAMP1
SCHEMBL29872287 0.88 CALCRL (0.52) CALCRLRAMP1
SCHEMBL2087424 0.86 CALCRL (0.55) CALCRLRAMP1
SCHEMBL5779968 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL2165841 0.85 CALCRL (0.52) CALCRLRAMP1
SCHEMBL13655717 0.85 CALCRL (0.52) CALCRLRAMP1
SCHEMBL14401025 0.83 CALCRL (0.53) CALCRLRAMP1
SCHEMBL14016467 0.83 CALCRL (0.47) CALCRLRAMP1
SCHEMBL3958975 0.82 CALCRL (0.43) CALCRLRAMP1

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-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed