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Sugi Predict / Compounds / SCHEMBL1818102

SCHEMBL1818102

SCHEMBL1818102

CC(C(=O)O)c1cn(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 13/20 0.53
▸ CALCRL Q16602 7/20 0.50

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
SCHEMBL4312824 0.88 CALCA (0.54) CALCACALCRL
SCHEMBL4312829 0.88 CALCA (0.54) CALCACALCRL
SCHEMBL1821107 0.82 CALCRL (0.60) CALCACALCRL
SCHEMBL4308777 0.78 CALCRL (0.63) CALCACALCRL
SCHEMBL4308772 0.78 CALCRL (0.63) CALCACALCRL
SCHEMBL12656985 0.77 CALCA (0.56) CALCACALCRL
SCHEMBL12628000 0.77 CALCRL (0.66) CALCACALCRL
SCHEMBL12628028 0.77 CALCRL (0.66) CALCACALCRL
SCHEMBL1394294 0.72 CALCA (0.72) CALCACALCRL
SCHEMBL10153198 0.71 CALCA (0.71) CALCACALCRL

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-7947677-B2 Spirolactam tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 — — US disclosed