SCHEMBL14036286

SCHEMBL14036286

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(CC(=O)N(C)O)CC3)CC2)cc(Br)c1O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.62
RAMP1 O60894 4/20 0.62
CALCA P06881 2/20 0.46
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
SCHEMBL2164959 0.96 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164976 0.96 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL14017725 0.96 CALCRL (0.65) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165217 0.95 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165225 0.95 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036424 0.92 CALCRL (0.63) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164543 0.92 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL14017757 0.91 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165401 0.91 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4
SCHEMBL2165379 0.91 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4

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