SCHEMBL13655717

SCHEMBL13655717

CC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.52
RAMP1 O60894 4/20 0.52
PARP1 P09874 1/20 0.47
NOTUM Q6P988 1/20 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
SCHEMBL2087424 0.88 CALCRL (0.55) CALCRLRAMP1
SCHEMBL2165841 0.87 CALCRL (0.52) CALCRLRAMP1
SCHEMBL29872287 0.87 CALCRL (0.52) CALCRLRAMP1
SCHEMBL12622797 0.86 CALCRL (0.52) CALCRLRAMP1
SCHEMBL10330728 0.86 CALCRL (0.52) CALCRLRAMP1
SCHEMBL1700379 0.85 CHRM2 (0.50) CALCRLRAMP1
SCHEMBL3960086 0.85 CALCRL (0.55) CALCRLRAMP1
SCHEMBL19874018 0.84 CALCRL (0.54) CALCRLRAMP1
SCHEMBL10024352 0.84 CALCRL (0.49) CALCRLRAMP1
SCHEMBL15144550 0.84 CALCRL (0.48) 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-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed