Sugi Predict

Sugi Predict / Compounds / SCHEMBL6249377

SCHEMBL6249377

SCHEMBL6249377

O=C(CC(Cc1ccc2c(c1)CCC2)C(=O)N1CCC(C2CC[N]CC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.59
▸ CYP3A4 P08684 2/20 0.49
▸ RAMP1 O60894 1/20 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
SCHEMBL6265150 0.99 CALCRL (0.59) CALCRLCYP3A4RAMP1
SCHEMBL3278234 0.93 CALCRL (0.59) CALCRLCYP3A4RAMP1
SCHEMBL3278750 0.92 CALCRL (0.60) CALCRLCYP3A4RAMP1
SCHEMBL3278008 0.91 CALCRL (0.55) CALCRLCYP3A4RAMP1
SCHEMBL3279096 0.90 CALCRL (0.56) CALCRLCYP3A4RAMP1
SCHEMBL3282147 0.88 CALCRL (0.62) CALCRLCYP3A4RAMP1
SCHEMBL13303270 0.88 CALCRL (0.54) CALCRLCYP3A4RAMP1
SCHEMBL3278998 0.88 CALCRL (0.55) CALCRLCYP3A4RAMP1
SCHEMBL13303267 0.87 CALCRL (0.55) CALCRLCYP3A4RAMP1
SCHEMBL3279309 0.87 CALCRL (0.63) 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 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