SCHEMBL4719035

SCHEMBL4719035

Cc1cc(CC(NC(=O)ON2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(CC(F)(F)F)CC3)CC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.54
CYP3A4 P08684 15/20 0.54

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
SCHEMBL4717669 0.94 CALCRL (0.48) CALCRLCYP3A4
SCHEMBL3316930 0.92 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL4718244 0.92 CALCRL (0.58) CALCRLCYP3A4
SCHEMBL4717171 0.90 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL4717056 0.90 CALCRL (0.56) CALCRLCYP3A4
SCHEMBL4720343 0.87 CALCRL (0.52) CALCRLCYP3A4
SCHEMBL3310803 0.86 CALCRL (0.58) CALCRLCYP3A4
SCHEMBL6223175 0.86 CALCRL (0.60) CALCRLCYP3A4
SCHEMBL3311379 0.85 CALCRL (0.62) CALCRLCYP3A4
SCHEMBL6226809 0.84 CALCRL (0.58) CALCRLCYP3A4

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