SCHEMBL6600175

SCHEMBL6600175

CC(=O)OC[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
FKBP1A P62942 2/20 0.40
RAB9A P51151 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6604130 0.85 HTR6 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6601432 0.85 HTR6 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6600328 0.84 MEN1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6605132 0.84 MEN1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6600331 0.83 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6602001 0.83 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6600655 0.82 LMNA (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6601252 0.82 HTR6 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6600495 0.82 LMNA (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6601431 0.80 KCNN4 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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