SCHEMBL6602030

SCHEMBL6602030

Cc1ccc(S(=O)(=O)N2CCCC(=CNC(C)C)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.48
KCNA3 P22001 1/20 0.48
MAPT P10636 6/20 0.47
TP53 P04637 5/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 5/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NR3C1 P04150 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6602025 1.00 KCNN4 (0.48) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6600501 0.83 KMT2A (0.46) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6600502 0.83 KMT2A (0.46) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6605044 0.81 KMT2A (0.51) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6605034 0.81 KMT2A (0.51) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL1495922 0.78 KCNN4 (0.64) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6600485 0.77 KMT2A (0.49) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6600482 0.77 KMT2A (0.49) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL6369328 0.75 CYP3A4 (0.62) KCNN4KCNA3MAPTTP53KMT2A
SCHEMBL18363031 0.74 KMT2A (0.73) MAPTTP53KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed