SCHEMBL14036254

SCHEMBL14036254

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(CC(=O)OCC)CC3)CC2)cc(Br)c1O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.64
RAMP1 O60894 3/20 0.64
CALCA P06881 1/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL2165231 0.96 CALCRL (0.68) CALCRLRAMP1CALCACYP3A4
SCHEMBL14016397 0.96 CALCRL (0.68) CALCRLRAMP1CYP3A4
SCHEMBL2165222 0.96 CALCRL (0.68) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036238 0.94 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL2164264 0.94 CALCRL (0.68) CALCRLRAMP1CALCACYP3A4
SCHEMBL2164251 0.94 CALCRL (0.68) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036160 0.94 CALCRL (0.63) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036280 0.92 CALCRL (0.62) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036207 0.92 CALCRL (0.63) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036133 0.92 CALCRL (0.63) 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