SCHEMBL11727643

SCHEMBL11727643

COC1CNCc2ccsc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
PNMT P11086 1/20 0.39

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
Hydrochloric Acid SCHEMBL11726932 0.98 HRH1 (0.39) HRH1HRH4PNMT
SCHEMBL8800661 0.77 PNMT (0.42) HRH1PNMT
SCHEMBL2839565 0.73 PNMT (0.42) HRH1HRH4PNMT
SCHEMBL2839288 0.72 SLC6A2 (0.49) PNMT
SCHEMBL4752619 0.72 DRD2 (0.43) HRH1HRH4
Hydrochloric Acid SCHEMBL11010216 0.71 PNMT (0.41) HRH1HRH4PNMT
SCHEMBL2836074 0.70 PKM (0.32)
SCHEMBL11038354 0.69 PDE4A (0.40)
SCHEMBL31047642 0.68 MEN1 (0.51) PNMT
SCHEMBL7865801 0.68 MEN1 (0.51) PNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065460-A ANTIINFLAMMATORY, ANALGESIC PARCOR (FR) 1977-12-27 US disclosed
US-4065459-A SULFONATION PARCOR (FR) 1977-12-27 US disclosed