Sugi Predict

Sugi Predict / Compounds / SCHEMBL6225971

SCHEMBL6225971

SCHEMBL6225971

CCc1ccc(CC(NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CC4CC[C@H](C3)N4C)CC2)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.47
▸ CYP3A4 P08684 14/20 0.47
▸ RAMP1 O60894 2/20 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
SCHEMBL3879129 0.94 CALCRL (0.50) CALCRLCYP3A4RAMP1
SCHEMBL3885446 0.94 CALCRL (0.50) CALCRLCYP3A4RAMP1
SCHEMBL6228315 0.91 CALCRL (0.51) CALCRLCYP3A4RAMP1
SCHEMBL6222776 0.91 CALCRL (0.49) CALCRLCYP3A4RAMP1
SCHEMBL3282629 0.91 CALCRL (0.57) CALCRLCYP3A4
SCHEMBL3282625 0.91 CALCRL (0.57) CALCRLCYP3A4
SCHEMBL6224379 0.91 CALCRL (0.54) CALCRLCYP3A4RAMP1
SCHEMBL6225497 0.91 CALCRL (0.56) CALCRLCYP3A4
Maleic Acid SCHEMBL3881521 0.90 CALCRL (0.47) CALCRLCYP3A4RAMP1
SCHEMBL6226852 0.90 CALCRL (0.53) CALCRLCYP3A4RAMP1

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-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