SCHEMBL14036237

SCHEMBL14036237

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.61
RAMP1 O60894 4/20 0.61
CALCA P06881 2/20 0.46
CYP3A4 P08684 1/20 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
SCHEMBL2165854 0.95 CALCRL (0.65) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036374 0.95 CALCRL (0.65) CALCRLRAMP1CALCA
SCHEMBL14036159 0.95 CALCRL (0.61) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036155 0.94 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036417 0.94 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4
SCHEMBL14016553 0.93 CALCRL (0.69) CALCRLRAMP1
SCHEMBL14036162 0.91 CALCRL (0.61) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036372 0.90 CALCRL (0.64) CALCRLRAMP1CALCACYP3A4
SCHEMBL14036124 0.90 CALCRL (0.60) CALCRLRAMP1CALCACYP3A4
SCHEMBL14016513 0.90 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