SCHEMBL6225652

SCHEMBL6225652

CCc1ccc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc1CC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.48
RAMP1 O60894 4/20 0.48
CALCA P06881 1/20 0.48
CYP3A4 P08684 10/20 0.44

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
SCHEMBL6225345 1.00 CALCRL (0.48) CALCRLRAMP1CALCACYP3A4
SCHEMBL6227894 0.91 CALCRL (0.46) CALCRLRAMP1CALCACYP3A4
SCHEMBL3278369 0.91 CALCRL (0.58) CALCRLRAMP1CALCACYP3A4
SCHEMBL3278619 0.91 CALCRL (0.58) CALCRLRAMP1CALCACYP3A4
SCHEMBL6224472 0.90 CALCRL (0.41) CALCRLRAMP1CALCACYP3A4
SCHEMBL3879129 0.88 CALCRL (0.50) CALCRLRAMP1CYP3A4
SCHEMBL3885446 0.88 CALCRL (0.50) CALCRLRAMP1CYP3A4
SCHEMBL6227753 0.88 CALCRL (0.47) CALCRLRAMP1CALCACYP3A4
SCHEMBL6225688 0.87 CALCRL (0.47) CALCRLRAMP1CALCACYP3A4
SCHEMBL6225497 0.87 CALCRL (0.56) CALCRLCYP3A4

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-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO disclosed