SCHEMBL9624601

SCHEMBL9624601

CCCCCCC(CC)NCC(O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CACNA1F O60840 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB3 P13945 8/20 0.43
ADRB2 P07550 5/20 0.43

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
SCHEMBL10647774 0.85 CACNA1F (0.48) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624979 0.85 ADRB3 (0.61) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624818 0.85 ADRB3 (0.61) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624435 0.81 HDAC3 (0.52) MAPTLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL10645824 0.80 ADRB3 (0.64) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624733 0.76 ADRB3 (0.60) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624596 0.76 CACNA1F (0.60) MAPTCACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9226340 0.75 CACNA1F (0.61) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL7574166 0.75 CACNA1F (0.61) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9625593 0.75 CACNA1F (0.61) CACNA1FCHRM2ADRA2BADRA2CCHRM3

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 1 patent. 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