SCHEMBL13601594

SCHEMBL13601594

Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCCC(C)C2)cc2oc(=O)n(C)c12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.61
RAMP1 O60894 1/20 0.61

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
SCHEMBL13601593 0.93 CALCRL (0.66) CALCRLRAMP1
SCHEMBL13601603 0.91 CALCRL (0.67) CALCRLRAMP1
SCHEMBL3353460 0.90 CALCRL (0.70) CALCRLRAMP1
SCHEMBL3353250 0.90 CALCRL (0.71) CALCRLRAMP1
SCHEMBL3353239 0.90 CALCRL (0.71) CALCRLRAMP1
SCHEMBL3351990 0.90 CALCRL (0.66) CALCRLRAMP1
SCHEMBL3356542 0.89 CALCRL (0.69) CALCRLRAMP1
SCHEMBL3356532 0.89 CALCRL (0.69) CALCRLRAMP1
SCHEMBL13601173 0.89 CALCRL (0.63) CALCRLRAMP1
SCHEMBL14541936 0.89 CALCRL (0.63) 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
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed