SCHEMBL6601431

SCHEMBL6601431

Cc1ccc(S(=O)(=O)N2CCC[C@H](CC#N)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
KCNA3 P22001 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTR6 P50406 4/20 0.41
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6600495 0.87 LMNA (0.43) KCNN4KCNA3TP53MAPTHTR6
SCHEMBL6600655 0.87 LMNA (0.43) KCNN4KCNA3TP53MAPTHTR6
SCHEMBL6604130 0.85 HTR6 (0.43) KCNN4KCNA3TP53MAPTHTR6
SCHEMBL6601432 0.85 HTR6 (0.43) KCNN4KCNA3TP53MAPTHTR6
SCHEMBL6601252 0.85 HTR6 (0.43) KCNN4KCNA3TP53MAPTHTR6
SCHEMBL6605132 0.82 MEN1 (0.45) TP53MAPTHTR6DRD3HRH3
SCHEMBL6600328 0.82 MEN1 (0.45) TP53MAPTHTR6DRD3HRH3
SCHEMBL6600175 0.80 ALDH1A1 (0.43) MAPTHTR6DRD3HRH3L3MBTL1
SCHEMBL6602001 0.80 KMT2A (0.44) TP53MAPTL3MBTL1LMNAALDH1A1
SCHEMBL6600331 0.80 KMT2A (0.44) TP53MAPTL3MBTL1LMNAALDH1A1

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