SCHEMBL14036191

SCHEMBL14036191

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCC(CC(=O)OCC)CC3)CC2)cc(B)c1O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.66
RAMP1 O60894 2/20 0.66
CYP3A4 P08684 2/20 0.39
CALCA P06881 1/20 0.38

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
SCHEMBL14036133 0.96 CALCRL (0.63) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14017813 0.94 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL2164618 0.94 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2164627 0.94 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2164621 0.94 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2165033 0.94 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL2165986 0.93 CALCRL (0.67) CALCRLRAMP1CYP3A4CALCA
SCHEMBL2165991 0.93 CALCRL (0.67) CALCRLRAMP1CYP3A4CALCA
SCHEMBL2165983 0.93 CALCRL (0.67) CALCRLRAMP1CYP3A4CALCA
SCHEMBL2166302 0.93 CALCRL (0.67) CALCRLRAMP1CYP3A4CALCA

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