SCHEMBL5779880

SCHEMBL5779880

Cc1cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)[N+]2(C)CCC(C3CCNCC3)CC2)cc2nn[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.52
RAMP1 O60894 1/20 0.45

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
SCHEMBL5658156 0.91 CALCRL (0.60) CALCRLRAMP1
SCHEMBL5781132 0.88 CALCRL (0.52) CALCRLRAMP1
SCHEMBL5658050 0.86 CALCRL (0.62) CALCRLRAMP1
SCHEMBL5656793 0.85 CALCRL (0.63) CALCRLRAMP1
SCHEMBL5657722 0.85 CALCRL (0.61) CALCRLRAMP1
SCHEMBL5782308 0.84 CALCRL (0.55) CALCRL
SCHEMBL6225221 0.83 CALCRL (0.46) CALCRLRAMP1
SCHEMBL6223049 0.83 CALCRL (0.54) CALCRL
SCHEMBL5660768 0.83 CALCRL (0.65) CALCRLRAMP1
SCHEMBL5659544 0.82 CALCRL (0.64) 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 4 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 claimed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO claimed
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