SCHEMBL14016751

SCHEMBL14016751

NC(=O)COC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.49
RAMP1 O60894 4/20 0.49
CHRM4 P08173 2/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL14016467 0.88 CALCRL (0.47) CALCRLRAMP1
SCHEMBL13423387 0.87 CALCRL (0.51) CALCRLRAMP1CHRM4CHRM1
SCHEMBL14044251 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL13655714 0.85 CALCRL (0.49) CALCRLRAMP1
SCHEMBL13772886 0.84 CALCRL (0.52) CALCRLRAMP1
SCHEMBL13655640 0.84 CALCRL (0.48) CALCRLRAMP1
SCHEMBL29872287 0.84 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL13772867 0.83 CALCRL (0.47) CALCRLRAMP1
SCHEMBL14017817 0.83 CALCRL (0.55) CALCRLRAMP1
SCHEMBL14016505 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 EP disclosed