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Sugi Predict / Compounds / SCHEMBL4719552

SCHEMBL4719552

SCHEMBL4719552

CC(C)(N)c1ccc(C2CCN(C(=O)[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.80
▸ RAMP1 O60894 3/20 0.80
▸ CYP3A4 P08684 2/20 0.41

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
SCHEMBL3311639 0.95 CALCRL (0.82) CALCRLRAMP1CYP3A4
SCHEMBL3311647 0.95 CALCRL (0.82) CALCRLRAMP1CYP3A4
SCHEMBL3312797 0.94 CALCRL (0.81) CALCRLRAMP1CYP3A4
SCHEMBL3312792 0.94 CALCRL (0.81) CALCRLRAMP1CYP3A4
SCHEMBL3311226 0.93 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL3311219 0.93 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL3311458 0.92 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL3303411 0.91 CALCRL (0.86) CALCRLRAMP1CYP3A4
SCHEMBL3303403 0.91 CALCRL (0.86) CALCRLRAMP1CYP3A4
SCHEMBL3313349 0.90 CALCRL (0.85) 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-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 — — EP disclosed