SCHEMBL5020086

SCHEMBL5020086

O=C(O)c1cnc2c(c1)C[C@@]1(C2)C(=O)NC2=C1C=CCN2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.36
▸ RAMP1 O60894 7/20 0.33

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
SCHEMBL5020147 0.87 CALCRL (0.34) CALCRLRAMP1
SCHEMBL10119955 0.81 TDP2 (0.39) —
SCHEMBL5020104 0.73 CALCRL (0.74) CALCRLRAMP1
SCHEMBL29559656 0.72 CALCRL (0.61) CALCRLRAMP1
SCHEMBL31084957 0.72 CALCRL (0.61) CALCRLRAMP1
SCHEMBL14933346 0.72 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29518081 0.72 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3694253 0.72 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29997203 0.72 CALCRL (0.61) CALCRLRAMP1
Hydrochloric Acid SCHEMBL31126002 0.71 CALCRL (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064910-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO disclosed
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