SCHEMBL13655848

SCHEMBL13655848

CS(=O)(=O)N1CCN(C2CCN(C(=O)COC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.49
RAMP1 O60894 3/20 0.49
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14017817 0.90 CALCRL (0.55) CALCRLRAMP1
SCHEMBL13655701 0.90 CALCRL (0.49) CALCRLRAMP1KDM4E
SCHEMBL14044248 0.90 CALCRL (0.52) CALCRLRAMP1
SCHEMBL14044251 0.89 CALCRL (0.51) CALCRLRAMP1
SCHEMBL13655714 0.88 CALCRL (0.49) CALCRLRAMP1
SCHEMBL13772886 0.88 CALCRL (0.52) CALCRLRAMP1
SCHEMBL14044249 0.87 CALCRL (0.52) CALCRLRAMP1
SCHEMBL13772873 0.87 CALCRL (0.50) CALCRLRAMP1
SCHEMBL14016560 0.86 CALCRL (0.50) CALCRLRAMP1
SCHEMBL14017700 0.86 CALCRL (0.61) CALCRLRAMP1KDM4E

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-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed