SCHEMBL14036236

SCHEMBL14036236

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N(C)C)cc(B)c1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.62
RAMP1 O60894 1/20 0.62
CALCA P06881 1/20 0.51

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
SCHEMBL14036218 0.95 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL14036378 0.92 CALCRL (0.57) CALCRLRAMP1CALCA
SCHEMBL14036399 0.91 CALCRL (0.74) CALCRLRAMP1CALCA
SCHEMBL14036256 0.91 CALCA (0.63) CALCRLRAMP1CALCA
SCHEMBL14036406 0.86 CALCRL (0.67) CALCRLRAMP1CALCA
SCHEMBL14036157 0.86 CALCRL (0.57) CALCRLRAMP1CALCA
SCHEMBL14016607 0.86 CALCRL (0.73) CALCRLRAMP1
SCHEMBL14036210 0.85 CALCRL (0.72) CALCRLRAMP1
SCHEMBL14036278 0.85 CALCRL (0.72) CALCRLRAMP1CALCA
SCHEMBL14036217 0.85 CALCRL (0.71) CALCRLRAMP1CALCA

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