SCHEMBL4717830

SCHEMBL4717830

Nc1c(C(F)(F)F)cc(C[C@@H](NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)[N+]2(C3CCNCC3)CCCCC2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.49
RAMP1 O60894 3/20 0.49
CALCA P06881 1/20 0.44
CYP3A4 P08684 15/20 0.44

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
SCHEMBL6221171 0.88 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL13331684 0.85 CALCRL (0.56) CALCRLRAMP1CALCACYP3A4
SCHEMBL13331129 0.85 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL3315654 0.85 CALCRL (0.57) CALCRLRAMP1CALCACYP3A4
SCHEMBL6221778 0.84 CALCRL (0.59) CALCRLRAMP1CALCACYP3A4
SCHEMBL13331686 0.84 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL3315805 0.84 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL6221733 0.84 CALCRL (0.68) CALCRLRAMP1CYP3A4
SCHEMBL3313701 0.83 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL13331689 0.83 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 1 patent. 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