SCHEMBL14411596

SCHEMBL14411596

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COCC(=O)N2CCC(N3CCC(C)CC3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.53
EBP Q15125 1/20 0.43
DHCR7 Q9UBM7 1/20 0.43
HTR7 P34969 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL14411629 0.94 BDKRB1 (0.54) BDKRB1EBPDHCR7
SCHEMBL2563595 0.94 BDKRB1 (0.54) BDKRB1EBPDHCR7
SCHEMBL2568305 0.93 BDKRB1 (0.53) BDKRB1EBPDHCR7
SCHEMBL14411601 0.93 BDKRB1 (0.53) BDKRB1EBPDHCR7
SCHEMBL2567155 0.91 BDKRB1 (0.63) BDKRB1
SCHEMBL14411600 0.91 BDKRB1 (0.51) BDKRB1
SCHEMBL2564394 0.91 BDKRB1 (0.53) BDKRB1
SCHEMBL2570685 0.91 BDKRB1 (0.55) BDKRB1
SCHEMBL2565953 0.91 BDKRB1 (0.51) BDKRB1
SCHEMBL14411777 0.90 BDKRB1 (0.56) BDKRB1

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
WO-2007101007-A2 ARYL SULFONYL HETEROCYCLES NEUROGEN CORPORATION (US) 2007-09-07 WO disclosed