SCHEMBL5736710

SCHEMBL5736710

O=C([C@H]1CC[C@H](n2cnnc2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.66
CNR1 P21554 7/20 0.61
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 2/20 0.50
GAA P10253 1/20 0.47

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
SCHEMBL5736704 1.00 F10 (0.66) F10CNR1NPSR1LMNAUSP2
SCHEMBL5736345 0.84 F10 (0.68) F10CNR1NPSR1LMNAUSP2
SCHEMBL5735074 0.84 F10 (0.68) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5733905 0.83 F10 (0.67) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5734077 0.83 F10 (0.67) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5733907 0.83 F10 (0.67) F10CNR1NPSR1LMNAUSP2
SCHEMBL4942386 0.83 F10 (0.70) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5735795 0.82 F10 (0.66) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5735799 0.82 F10 (0.66) F10CNR1NPSR1LMNAUSP2
Hydrochloric Acid SCHEMBL5735250 0.82 F10 (0.68) F10CNR1NPSR1LMNAUSP2

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