SCHEMBL5166166

SCHEMBL5166166

Cc1cc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCOCC3)CC2)cc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.61
RAMP1 O60894 2/20 0.61
CYP3A4 P08684 14/20 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
SCHEMBL3518901 0.91 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL5259365 0.88 CALCRL (0.57) CALCRLRAMP1CYP3A4
SCHEMBL13313656 0.87 CALCRL (0.69) CALCRLRAMP1CYP3A4
SCHEMBL13313720 0.86 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL14540092 0.86 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL3520211 0.84 CALCRL (0.85) CALCRLRAMP1CYP3A4
SCHEMBL3520215 0.84 CALCRL (0.85) CALCRLRAMP1CYP3A4
SCHEMBL13313664 0.84 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL13313703 0.84 CALCRL (0.57) CALCRLRAMP1CYP3A4
SCHEMBL13313692 0.84 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-1770091-A1 CGRP-antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed