Sugi Predict

Sugi Predict / Compounds / SCHEMBL6229403

SCHEMBL6229403

SCHEMBL6229403

CCc1cc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)ccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.52
▸ RAMP1 O60894 2/20 0.52
▸ CYP3A4 P08684 13/20 0.47

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
SCHEMBL6226709 0.97 CALCRL (0.55) CALCRLRAMP1CYP3A4
SCHEMBL6228557 0.95 CALCRL (0.54) CALCRLRAMP1CYP3A4
SCHEMBL6224478 0.95 CALCRL (0.54) CALCRLRAMP1CYP3A4
SCHEMBL6225151 0.94 CALCRL (0.54) CALCRLRAMP1CYP3A4
SCHEMBL6223280 0.92 CALCRL (0.57) CALCRLRAMP1CYP3A4
SCHEMBL3885446 0.92 CALCRL (0.50) CALCRLRAMP1CYP3A4
SCHEMBL3879129 0.92 CALCRL (0.50) CALCRLRAMP1CYP3A4
SCHEMBL6222655 0.92 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL3285519 0.91 CALCRL (0.57) CALCRLRAMP1CYP3A4
SCHEMBL6223544 0.90 CALCRL (0.45) 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-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