SCHEMBL9624206

SCHEMBL9624206

CCCCCCC(CC)NCCCCc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.44
S1PR1 P21453 5/20 0.42
S1PR4 O95977 3/20 0.42
S1PR5 Q9H228 3/20 0.42
ADRB3 P13945 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
S1PR3 Q99500 2/20 0.41
OPRM1 P35372 2/20 0.41
HTR6 P50406 2/20 0.40
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
NR3C1 P04150 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 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
SCHEMBL9626253 0.93 HTR6 (0.44) GHSRS1PR1S1PR4S1PR5ADRB3
SCHEMBL9624807 0.86 KDM4E (0.49) GHSRS1PR1SIGMAR1S1PR3POLB
Bromide SCHEMBL10531026 0.85 KDM4E (0.48) GHSRS1PR1SIGMAR1S1PR3POLB
Hydrochloric Acid SCHEMBL10531414 0.85 KDM4E (0.48) GHSRS1PR1SIGMAR1S1PR3POLB
SCHEMBL9625827 0.83 KDM4E (0.50) GHSRADRB3POLBATM
SCHEMBL9226318 0.83 CACNA1F (0.50) ADRB3ADRB2ADRB1
SCHEMBL10528905 0.81 KDM4E (0.50) GHSRS1PR1SIGMAR1S1PR3POLB
SCHEMBL9624560 0.79 KDM4E (0.48) GHSRADRB3POLBATMADRB2
SCHEMBL9225307 0.78 NR3C1 (0.38) ADRB3POLBNR3C1
SCHEMBL10529852 0.78 KDM4E (0.43) GHSRS1PR1S1PR3POLBATM

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 5 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-0178874-B1 ALKYLSULFONAMIDOPHENYLALKYLAMINES ELI LILLY AND COMPANY (US) 1989-04-05 EP disclosed
US-4596827-A Antiarrhythmia agents ELI LILLY AND COMPANY (US) 1986-06-24 US disclosed
EP-0178874-A1 Alkylsulfonamidophenylalkylamines ELI LILLY AND COMPANY (US) 1986-04-23 EP disclosed
US-4569801-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1986-02-11 US disclosed