SCHEMBL14036200

SCHEMBL14036200

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(S(N)(=O)=O)CC3)CC2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.59
RAMP1 O60894 2/20 0.59
CYP3A4 P08684 5/20 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
SCHEMBL14016513 0.94 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14036434 0.94 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14016767 0.94 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14036415 0.94 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL14036211 0.94 CALCRL (0.64) CALCRLRAMP1
SCHEMBL14036380 0.92 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL2167474 0.92 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL14017782 0.91 CALCRL (0.56) CALCRLRAMP1CYP3A4
SCHEMBL14036155 0.90 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14036379 0.90 CALCRL (0.58) CALCRLRAMP1CYP3A4

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