SCHEMBL5733760

SCHEMBL5733760

CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)C3=Cc4ccc(Cl)cc4OC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.48
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.38
KDM4D Q6B0I6 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7655273 1.00 CNR1 (0.48) CNR1GAASMN1; SMN2KMT2ANPSR1
Hydrochloric Acid SCHEMBL5734892 0.86 CNR1 (0.48) CNR1GAASMN1; SMN2KMT2ANPSR1
Hydrochloric Acid SCHEMBL5736583 0.85 CNR1 (0.45) CNR1SMN1; SMN2NPSR1LMNAPKM
Hydrochloric Acid SCHEMBL5736580 0.85 CNR1 (0.45) CNR1SMN1; SMN2NPSR1LMNAPKM
SCHEMBL5734380 0.83 TGM2 (0.48) KMT2A
Hydrochloric Acid SCHEMBL5735966 0.82 CNR1 (0.53) CNR1GAASMN1; SMN2KMT2ANPSR1
Hydrochloric Acid SCHEMBL5735972 0.82 CNR1 (0.53) CNR1GAASMN1; SMN2KMT2ANPSR1
SCHEMBL5733444 0.80 F10 (0.57) CNR1GAASMN1; SMN2KMT2ANPSR1
SCHEMBL5733446 0.80 F10 (0.57) CNR1GAASMN1; SMN2KMT2ANPSR1
SCHEMBL5735808 0.80 F10 (0.57) CNR1GAASMN1; SMN2KMT2ANPSR1

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