SCHEMBL5782308

SCHEMBL5782308

C[N+]1(C(=O)C(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)Cc2cc(Br)c3[nH]ncc3c2)CCC(C2CCNCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.55

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
SCHEMBL5659964 0.91 CALCRL (0.63) CALCRL
SCHEMBL5781027 0.87 CALCRL (0.58) CALCRL
SCHEMBL5658683 0.86 CALCRL (0.66) CALCRL
SCHEMBL5659636 0.85 CALCRL (0.65) CALCRL
SCHEMBL5659976 0.85 CALCRL (0.67) CALCRL
SCHEMBL5781132 0.85 CALCRL (0.52) CALCRL
SCHEMBL5657296 0.84 CALCRL (0.75) CALCRL
SCHEMBL5779880 0.84 CALCRL (0.52) CALCRL
SCHEMBL5815131 0.84 CALCRL (0.49) CALCRL
SCHEMBL5658753 0.84 CALCRL (0.64) CALCRL

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-1722792-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-22 EP disclosed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed