SCHEMBL6601432

SCHEMBL6601432

Cc1ccc(S(=O)(=O)N2CCC[C@H](CO)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KCNN4 O15554 1/20 0.43
KCNA3 P22001 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL6604130 1.00 HTR6 (0.43) HTR6DRD3HRH3KCNN4KCNA3
SCHEMBL6600655 0.88 LMNA (0.43) HTR6DRD3HRH3KCNN4KCNA3
SCHEMBL6600495 0.88 LMNA (0.43) HTR6DRD3HRH3KCNN4KCNA3
SCHEMBL6601252 0.88 HTR6 (0.43) HTR6DRD3HRH3KCNN4KCNA3
SCHEMBL6605132 0.87 MEN1 (0.45) HTR6DRD3HRH3MEN1KMT2A
SCHEMBL6600328 0.87 MEN1 (0.45) HTR6DRD3HRH3MEN1KMT2A
SCHEMBL6601431 0.85 KCNN4 (0.43) HTR6DRD3HRH3KCNN4KCNA3
SCHEMBL6600175 0.85 ALDH1A1 (0.43) HTR6DRD3HRH3MEN1KMT2A
SCHEMBL6602001 0.85 KMT2A (0.44) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL6600331 0.85 KMT2A (0.44) MEN1KMT2ALMNANPSR1L3MBTL1

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