SCHEMBL5733446

SCHEMBL5733446

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.57
CNR1 P21554 6/20 0.55
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL5733444 1.00 F10 (0.57) F10CNR1PKMNPSR1GAA
SCHEMBL5735808 1.00 F10 (0.57) F10CNR1PKMNPSR1GAA
SCHEMBL5735087 0.89 F10 (0.50) F10CNR1PKMNPSR1GAA
SCHEMBL5735166 0.89 F10 (0.50) F10CNR1PKMNPSR1GAA
SCHEMBL5735292 0.89 F10 (0.50) F10CNR1PKMNPSR1GAA
SCHEMBL5734724 0.87 F10 (0.55) F10CNR1PKMNPSR1GAA
SCHEMBL5734727 0.87 F10 (0.55) F10CNR1PKMNPSR1GAA
SCHEMBL5734427 0.87 F10 (0.55) F10CNR1PKMNPSR1GAA
SCHEMBL5734425 0.87 F10 (0.55) F10CNR1PKMNPSR1GAA
SCHEMBL5735610 0.87 F10 (0.63) F10CNR1PKMNPSR1GAA

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
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed