SCHEMBL7977176

SCHEMBL7977176

O=CSc1ccc(COCCCc2c[nH]cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 2/20 0.36

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
SCHEMBL7988330 0.84 HRH3 (0.38) HRH3HRH4
SCHEMBL7971701 0.79 HRH3 (0.40) HRH3HRH4
Iodoproxyfan SCHEMBL3089477 0.79 HRH3 (0.56) HRH3HRH4
Proxyfan SCHEMBL4072620 0.79 HRH3 (0.54) HRH3HRH4
Proxyfan SCHEMBL15130144 0.76 HRH3 (0.48) HRH3HRH4
Iodoproxyfan SCHEMBL3085830 0.75 HRH3 (0.46) HRH3HRH4
SCHEMBL7988978 0.72 GBA1 (0.41) HRH3HRH4
SCHEMBL4376189 0.71 KCNH2 (0.37) HRH3
SCHEMBL7971491 0.70 HRH3 (0.37) HRH3HRH4
SCHEMBL7972615 0.70 HRH3 (0.37) HRH3HRH4

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed