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Sugi Predict / Compounds / SCHEMBL2025348

SCHEMBL2025348

SCHEMBL2025348

CC(C(=O)O)n1c(=O)n(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)NC(=O)N2C)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.59
▸ CALCA P06881 2/20 0.49

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
SCHEMBL2026863 0.89 CALCRL (0.61) CALCRLCALCA
SCHEMBL4458410 0.87 CALCRL (0.61) CALCRLCALCA
SCHEMBL4457657 0.87 CALCRL (0.61) CALCRLCALCA
SCHEMBL1821107 0.84 CALCRL (0.60) CALCRLCALCA
SCHEMBL4457142 0.77 CALCRL (0.64) CALCRLCALCA
SCHEMBL12050400 0.76 CALCRL (0.75) CALCRLCALCA
SCHEMBL2020803 0.75 CALCRL (1.00) CALCRLCALCA
SCHEMBL12580812 0.75 CALCRL (1.00) CALCRLCALCA
SCHEMBL12580816 0.75 CALCRL (1.00) CALCRLCALCA
SCHEMBL12050398 0.71 CALCRL (0.65) CALCRLCALCA

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
US-7968540-B2 Spirohydantoin tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed