SCHEMBL7350004

SCHEMBL7350004

CN(C)c1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.54
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7348930 0.87 RAB9A (0.48) MAPTNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL7352564 0.87 AVPR2 (0.47) AVPR2MAPTNPC1SMN1; SMN2LMNA
SCHEMBL7351409 0.85 AVPR2 (0.47) AVPR2MAPTNPC1SMN1; SMN2LMNA
SCHEMBL7344903 0.85 MAPK1 (0.51) MAPTNPC1SMN1; SMN2LMNAHTT
SCHEMBL7349526 0.84 PAX8 (0.50) AVPR2MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL7355229 0.84 AVPR2 (0.52) AVPR2MAPTNPC1SMN1; SMN2LMNA
SCHEMBL7350359 0.84 AVPR2 (0.58) AVPR2ALDH1A1
SCHEMBL7376092 0.84 MAPT (0.52) AVPR2MAPTNPC1LMNAHTT
SCHEMBL7345988 0.82 HTT (0.50) AVPR2MAPTNPC1SMN1; SMN2LMNA
SCHEMBL7350088 0.81 MAPT (0.53) AVPR2MAPTNPC1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed