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Sugi Predict / Compounds / SCHEMBL4720341

SCHEMBL4720341

SCHEMBL4720341

CN1CCC(C2CCN(C(=O)[C@@H](Cc3cc(Cl)c(N)c(C(F)(F)F)c3)NC(=O)ON3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.65
▸ RAMP1 O60894 2/20 0.65
▸ CYP3A4 P08684 11/20 0.43
▸ CALCA P06881 1/20 0.39

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
SCHEMBL4717049 0.94 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL4716849 0.94 CALCRL (0.74) CALCRLRAMP1CYP3A4
SCHEMBL4720154 0.93 CALCRL (0.62) CALCRLRAMP1CYP3A4CALCA
SCHEMBL6222231 0.93 CALCRL (0.62) CALCRLRAMP1CYP3A4CALCA
SCHEMBL4719362 0.92 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL6261256 0.92 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL3309040 0.92 CALCRL (0.69) CALCRLRAMP1CYP3A4CALCA
SCHEMBL4716729 0.91 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4719838 0.91 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL4717898 0.91 CALCRL (0.65) 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-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 — — EP claimed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 — — EP disclosed