SCHEMBL9224529

SCHEMBL9224529

CCN(CCCCCC(C)F)C(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL9228476 0.91 CACNA1F (0.46) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9625141 0.87 THRA (0.52) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL8761778 0.74 KCNH2 (0.56) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9228481 0.73 KCNH2 (0.47) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9625631 0.73 KDM4E (0.58) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL8198120 0.72 KCNH2 (0.79) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL8198128 0.72 KCNH2 (0.79) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL8198119 0.72 KCNH2 (0.79) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL8899350 0.72 KCNH2 (0.46) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9625720 0.71 CACNA1F (0.64) 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-5405997-A Stable against rapid metabolism THE UPJOHN COMPANY (US) 1995-04-11 US disclosed