SCHEMBL8335763

SCHEMBL8335763

CNC(=S)NC(=O)C(CN=S(=O)=O)N1CCCCC1c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SLC6A3 Q01959 4/20 0.31
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A4 P31645 3/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ TRPC3 Q13507 1/20 0.30
▸ TRPC6 Q9Y210 1/20 0.30

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
SCHEMBL8339395 0.97 TSHR (0.31) TSHRALDH1A1HTTNPSR1MAOA
SCHEMBL8339176 0.81 OPRM1 (0.39) TSHRHTTSLC6A3SLC6A2SLC6A4
SCHEMBL8335797 0.78 OPRK1 (0.41) ALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL8340005 0.77 DRD3 (0.31) TSHRALDH1A1HTT
SCHEMBL8340115 0.76 CFB (0.34) EPHX2
SCHEMBL8340296 0.66 TACR1 (0.35) TSHRALDH1A1HTT
SCHEMBL8340904 0.65 GAA (0.33) ALDH1A1
SCHEMBL8339028 0.63 GAA (0.33) ALDH1A1HTT
SCHEMBL8336415 0.61 SMN1; SMN2 (0.33) ALDH1A1HTT
SCHEMBL8339453 0.61 TSHR (0.35) TSHRHTTNPSR1

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-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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