Sugi Predict

Sugi Predict / Compounds / SCHEMBL5165965

SCHEMBL5165965

SCHEMBL5165965

N[C@@H](CCCCNC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.78
▸ RAMP1 O60894 10/20 0.78
▸ CYP3A4 P08684 1/20 0.60
▸ CALCA P06881 1/20 0.57

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
SCHEMBL3954251 0.88 CALCRL (0.90) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3958399 0.88 CALCRL (1.00) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3958152 0.88 CALCRL (1.00) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3961638 0.88 CALCRL (1.00) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3965896 0.88 CALCRL (1.00) CALCRLRAMP1CYP3A4CALCA
SCHEMBL4608828 0.87 CALCRL (0.79) CALCRLRAMP1CALCA
SCHEMBL3960075 0.86 CALCRL (0.79) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3964589 0.85 CALCRL (0.86) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3959757 0.84 CALCRL (0.67) CALCRLRAMP1CYP3A4CALCA
SCHEMBL3957024 0.84 CALCRL (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517674-B1 PREPARATIONS FOR THE INTRANASAL APPLICATION OF SELECTED CGRP ANTAGONISTS DERIVED FROM AMINO ACIDS AND A METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2007-04-11 — — EP claimed