SCHEMBL9625631

SCHEMBL9625631

CCCCCCCN(CC)C(=O)CCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
CACNA1F O60840 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
DRD3 P35462 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
HPGD P15428 2/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 5/20 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
SCHEMBL9624600 0.85 KDM4E (0.63) KDM4ECACNA1FCHRM2DRD3CACNA1D
SCHEMBL9625141 0.85 THRA (0.52) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9625149 0.85 CACNA1F (0.50) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9625821 0.81 KCNH2 (0.66) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624804 0.81 KCNH2 (0.66) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL16976564 0.80 KDM4E (0.65) KDM4ECACNA1FCHRM2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL10529761 0.80 KCNH2 (0.65) KDM4ECACNA1FCHRM2ADRA2BADRA2C
Bromide SCHEMBL10529006 0.80 KCNH2 (0.65) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL10528894 0.80 KCNH2 (0.57) KDM4ECACNA1FCHRM2ADRA2BADRA2C
SCHEMBL7998829 0.79 GRIN1 (0.63) KDM4EKCNH2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP disclosed