SCHEMBL5734775

SCHEMBL5734775

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2C(=O)N2CCSCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
F2 P00734 8/20 0.41
CNR1 P21554 2/20 0.39
ADAM17 P78536 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5734768 1.00 F10 (0.43) F10F2CNR1ADAM17RAB9A
SCHEMBL5736604 0.90 F10 (0.43) F10F2CNR1ADAM17RAB9A
SCHEMBL5734582 0.90 F10 (0.43) F10F2CNR1ADAM17RAB9A
Hydrochloric Acid SCHEMBL5733705 0.87 F10 (0.44) F10F2CNR1RAB9A
Hydrochloric Acid SCHEMBL5733712 0.87 F10 (0.44) F10F2CNR1RAB9A
SCHEMBL5735221 0.86 KMT2A (0.44) F10F2ADAM17RAB9A
SCHEMBL5735223 0.86 KMT2A (0.44) F10F2ADAM17RAB9A
SCHEMBL5735808 0.85 F10 (0.57) F10CNR1
SCHEMBL5733444 0.85 F10 (0.57) F10CNR1
SCHEMBL5733446 0.85 F10 (0.57) F10CNR1

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