Sugi Predict

Sugi Predict / Compounds / SCHEMBL6261256

SCHEMBL6261256

SCHEMBL6261256

Nc1c(Cl)cc(CC(NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCC3)CC2)cc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.66
▸ RAMP1 O60894 2/20 0.66
▸ CYP3A4 P08684 15/20 0.51

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
SCHEMBL4719362 1.00 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL4716729 0.98 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4719838 0.98 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4716849 0.95 CALCRL (0.74) CALCRLRAMP1CYP3A4
SCHEMBL4717898 0.95 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL6222106 0.95 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4717049 0.94 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL4720840 0.94 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL4720154 0.92 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL6222231 0.92 CALCRL (0.62) CALCRLRAMP1CYP3A4

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-1558600-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-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 — — WO disclosed