SCHEMBL9139656

SCHEMBL9139656

O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.60
OPRL1 P41146 2/20 0.60
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CCR1 P32246 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL9141149 0.97 OPRM1 (0.60) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL10084139 0.87 SLC6A4 (0.54) OPRM1OPRL1ALDH1A1SLC6A4SLC6A2
SCHEMBL14278986 0.86 CCR1 (0.52) OPRM1OPRL1ALDH1A1TP53GAA
SCHEMBL9138637 0.84 TBXA2R (0.59) OPRM1OPRL1GAASLC6A4SLC6A2
SCHEMBL14278985 0.84 SLC6A4 (0.54) OPRM1OPRL1ALDH1A1TP53GAA
SCHEMBL9143710 0.82 CA1 (0.48) OPRM1OPRL1ALDH1A1TP53GAA
SCHEMBL9138716 0.81 TBXA2R (0.59) OPRM1OPRL1GAASLC6A4SLC6A2
SCHEMBL26920900 0.81 CCR1 (0.56) OPRM1OPRL1SLC6A4SLC6A2SLC6A3
SCHEMBL9143964 0.80 TBXA2R (0.58) OPRM1OPRL1GAASLC6A4SLC6A2
SCHEMBL9143385 0.80 SLC6A2 (0.49) OPRM1OPRL1ALDH1A1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US disclosed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US disclosed
EP-0472449-B1 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA (FR) 1994-09-14 EP disclosed
EP-0472449-A2 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-02-26 EP disclosed