SCHEMBL3353260

SCHEMBL3353260

Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(C(=O)CCC(=O)O)CC3)CC2)cc2oc(=O)n(C)c12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.65
RAMP1 O60894 2/20 0.65
CYP3A4 P08684 2/20 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
SCHEMBL3353240 1.00 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3349654 1.00 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3349634 1.00 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3353544 0.95 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3357265 0.94 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3357247 0.94 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3353855 0.94 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL3353866 0.94 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL3353164 0.94 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL3353156 0.94 CALCRL (0.62) 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
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US claimed