SCHEMBL14036178

SCHEMBL14036178

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(CC(=O)NO)CC3)CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.56
RAMP1 O60894 3/20 0.56
CYP3A4 P08684 5/20 0.38
CALCA P06881 1/20 0.36

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
SCHEMBL14016575 0.95 CALCRL (0.60) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14017784 0.94 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14036376 0.93 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL14036436 0.93 CALCRL (0.56) CALCRLRAMP1CYP3A4CALCA
SCHEMBL2165502 0.93 CALCRL (0.56) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14036379 0.93 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL14016978 0.91 CALCRL (0.58) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14017021 0.90 CALCRL (0.54) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14036427 0.90 CALCRL (0.56) CALCRLRAMP1CYP3A4CALCA
SCHEMBL14036380 0.89 CALCRL (0.60) 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