SCHEMBL6600328

SCHEMBL6600328

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTR6 P50406 6/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
FKBP1A P62942 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 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
SCHEMBL6605132 1.00 MEN1 (0.45) MEN1KMT2AHTR6DRD3HRH3
SCHEMBL6602001 0.88 KMT2A (0.44) MEN1KMT2AFKBP1ALMNANPSR1
SCHEMBL6600331 0.88 KMT2A (0.44) MEN1KMT2AFKBP1ALMNANPSR1
SCHEMBL6604130 0.87 HTR6 (0.43) MEN1KMT2AHTR6DRD3HRH3
SCHEMBL6601432 0.87 HTR6 (0.43) MEN1KMT2AHTR6DRD3HRH3
SCHEMBL6600378 0.86 AVPR2 (0.49) MEN1KMT2AFKBP1ALMNANPSR1
SCHEMBL6601856 0.86 AVPR2 (0.49) MEN1KMT2AFKBP1ALMNANPSR1
SCHEMBL6600655 0.85 LMNA (0.43) MEN1KMT2AHTR6DRD3HRH3
SCHEMBL6601252 0.85 HTR6 (0.43) MEN1KMT2AHTR6DRD3HRH3
SCHEMBL6600495 0.85 LMNA (0.43) MEN1KMT2AHTR6DRD3HRH3

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