SCHEMBL4720840

SCHEMBL4720840

Nc1c(C(F)(F)F)cc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.58
RAMP1 O60894 1/20 0.58
CYP3A4 P08684 15/20 0.52

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
SCHEMBL4716729 0.96 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4719838 0.96 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL6221142 0.94 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL4721384 0.94 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL4717241 0.94 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL6261256 0.94 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL4719362 0.94 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL4723229 0.93 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL6220762 0.93 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL3313701 0.91 CALCRL (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed