SCHEMBL1274476

SCHEMBL1274476

COC(=O)C(C)(C)CC/C(=N\[S+]([O-])C(C)(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL12901361 1.00 SLC6A3 (0.32) SLC6A3
SCHEMBL1274478 1.00 SLC6A3 (0.32) SLC6A3
SCHEMBL3578590 0.86 SLC6A3 (0.31) SLC6A3
SCHEMBL3578593 0.86 SLC6A3 (0.31) SLC6A3
SCHEMBL977134 0.76 SLC6A3 (0.40) SLC6A3
SCHEMBL1274480 0.70 SLC6A3 (0.35) SLC6A3
SCHEMBL1274292 0.68 SLC6A3 (0.31) SLC6A3
SCHEMBL12901352 0.68 SLC6A3 (0.31) SLC6A3
SCHEMBL978721 0.67
SCHEMBL16169027 0.67 SLC6A3 (0.41) SLC6A3

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-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed