SCHEMBL5284283

SCHEMBL5284283

COc1cc(C[C@H](C)CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc(C)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.48
RAMP1 O60894 3/20 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
SCHEMBL3517424 0.92 CALCRL (0.48) CALCRLRAMP1
SCHEMBL3517417 0.92 CALCRL (0.48) CALCRLRAMP1
SCHEMBL4493030 0.91 CALCRL (0.47) CALCRLRAMP1
SCHEMBL4493028 0.91 CALCRL (0.47) CALCRLRAMP1
SCHEMBL2087523 0.86 CALCRL (0.59) CALCRLRAMP1
SCHEMBL2087521 0.86 CALCRL (0.59) CALCRLRAMP1
SCHEMBL3522300 0.86 CALCRL (0.52) CALCRLRAMP1
SCHEMBL3522294 0.86 CALCRL (0.52) CALCRLRAMP1
SCHEMBL4499740 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL4499739 0.85 CALCRL (0.50) 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-1863799-A1 CGRP-ANTAGONISTS, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-12-12 EP disclosed
WO-2006100009-A1 CGRP ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 WO disclosed