SCHEMBL6220951

SCHEMBL6220951

Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CC[N]CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.78
RAMP1 O60894 1/20 0.78
CYP3A4 P08684 1/20 0.48

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
SCHEMBL14016697 0.95 CALCRL (0.80) CALCRLRAMP1CYP3A4
SCHEMBL3306699 0.94 CALCRL (0.79) CALCRLRAMP1CYP3A4
SCHEMBL14017061 0.93 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL3307671 0.93 CALCRL (0.89) CALCRLRAMP1
SCHEMBL3307661 0.93 CALCRL (0.89) CALCRLRAMP1
SCHEMBL14016875 0.93 CALCRL (0.85) CALCRLRAMP1
SCHEMBL13313788 0.92 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL14017060 0.92 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL3310548 0.91 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL14016884 0.90 CALCRL (0.79) CALCRLRAMP1

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-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed