SCHEMBL5503404

SCHEMBL5503404

CC(CCN(C)C(=O)OC(C)(C)C)CC(=O)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 10/20 0.45
WNT3 P56703 5/20 0.45
DRD2 P14416 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
TGFBR1 P36897 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RORC P51449 2/20 0.40
CACNA1B Q00975 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL5503361 0.87 CACNA1B (0.53) CACNA1B
SCHEMBL14997376 0.80 DRD2 (0.46) SFRP1WNT3DRD2ADRA1DADRA1A
SCHEMBL4282334 0.80 DRD2 (0.46) SFRP1WNT3DRD2ADRA1DADRA1A
SCHEMBL4281416 0.79 STS (0.60) SFRP1WNT3DRD2ADRA1DADRA1A
SCHEMBL5502042 0.74 CACNA1B (0.53) CACNA1B
SCHEMBL8269931 0.74 EPHX2 (0.44) SFRP1WNT3DRD2ADRA1DADRA1A
SCHEMBL27683100 0.72 HTR1A (0.52) SFRP1DRD2ADRA1DADRA1AADRA1B
SCHEMBL1498557 0.72 TRPV4 (0.46) HDAC8GAAHPGDRORCCACNA1B
SCHEMBL13880104 0.71 CACNA1B (0.58) CACNA1B
SCHEMBL8268664 0.71 CACNA1B (0.53) DRD2ADRA1DADRA1AADRA1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed