SCHEMBL20664259

SCHEMBL20664259

COC(=O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.58
▸ RAMP1 O60894 8/20 0.52

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
SCHEMBL31084968 1.00 CALCRL (0.58) CALCRLRAMP1
SCHEMBL31126005 1.00 CALCRL (0.58) CALCRLRAMP1
SCHEMBL29517994 1.00 CALCRL (0.58) CALCRLRAMP1
SCHEMBL4571727 1.00 CALCRL (0.58) CALCRLRAMP1
SCHEMBL29517777 0.89 CALCRL (0.53) CALCRLRAMP1
SCHEMBL22796835 0.89 CALCRL (0.53) CALCRLRAMP1
SCHEMBL4567288 0.88 CALCRL (0.58) CALCRLRAMP1
SCHEMBL29518081 0.87 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3694253 0.87 CALCRL (0.61) CALCRLRAMP1
SCHEMBL31084957 0.87 CALCRL (0.61) CALCRLRAMP1

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-2849568-B1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2020-04-15 — — EP disclosed
EP-3430906-A1 CRYSTALLINE FORMS OF CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2019-01-23 — — EP disclosed
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