SCHEMBL1198426

SCHEMBL1198426

CC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CCS(C)(=O)=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.48

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
SCHEMBL1197428 0.86 CALCRL (0.47) CALCRL
SCHEMBL1196576 0.86 CALCRL (0.47) CALCRL
SCHEMBL1198359 0.86 CALCRL (0.41) CALCRL
SCHEMBL1197770 0.85 CALCRL (0.56) CALCRL
SCHEMBL2893791 0.81 CALCRL (0.60) CALCRL
SCHEMBL1197771 0.80 CALCRL (0.51) CALCRL
SCHEMBL1197405 0.79 CALCRL (0.50) CALCRL
SCHEMBL3697359 0.78 CALCRL (0.52) CALCRL
SCHEMBL3705520 0.78 CALCRL (0.52) CALCRL
SCHEMBL1197782 0.78 CALCRL (0.38) CALCRL

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-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 — — US disclosed
Send feedback