SCHEMBL16456809

SCHEMBL16456809

C[Si](C)(C)CCOCN1C(=O)[C@@]2(Cc3ccc(SC(O)=S)cc3C2)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.34

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
SCHEMBL977142 0.90 CALCRL (0.33) CALCRL
SCHEMBL16456808 0.90 CALCRL (0.36) CALCRL
SCHEMBL977158 0.85 AVPR1A (0.38) CALCRL
SCHEMBL1812252 0.84 CALCRL (0.38) CALCRL
SCHEMBL28717222 0.84 CALCRL (0.38) CALCRL
SCHEMBL27308571 0.83 CALCRL (0.35) CALCRL
SCHEMBL16495862 0.83 CALCRL (0.36) CALCRL
SCHEMBL978117 0.83 CALCRL (0.36) CALCRL
SCHEMBL1274952 0.83 CALCRL (0.36) CALCRL
SCHEMBL979397 0.83 CALCRL (0.36) 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
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed