SCHEMBL14036168

SCHEMBL14036168

Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.63
RAMP1 O60894 2/20 0.63
CYP3A4 P08684 3/20 0.39

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
SCHEMBL14036228 0.98 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL2165704 0.96 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL14036229 0.95 CALCRL (0.59) CALCRLRAMP1
SCHEMBL2165679 0.94 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL13895750 0.94 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL13895961 0.92 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL2164687 0.92 CALCRL (0.60) CALCRLRAMP1
SCHEMBL13895962 0.89 CALCRL (0.58) CALCRLRAMP1
SCHEMBL2164285 0.89 CALCRL (0.68) CALCRLRAMP1CYP3A4
SCHEMBL2166862 0.89 CALCRL (0.66) CALCRLRAMP1CYP3A4

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
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed