SCHEMBL7344903

SCHEMBL7344903

COc1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.51
HTT P42858 4/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 9/20 0.49
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAX8 Q06710 1/20 0.42
SLC6A9 P48067 1/20 0.42

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
SCHEMBL7345988 0.97 HTT (0.50) MAPK1HTTGAANPSR1MAPT
SCHEMBL7348930 0.87 RAB9A (0.48) HTTMAPTLMNASMN1; SMN2PDK1
SCHEMBL7352564 0.87 AVPR2 (0.47) HTTMAPTLMNASMN1; SMN2MEN1
SCHEMBL7344427 0.85 CA1 (0.54) MAPK1HTTGAAMAPTLMNA
SCHEMBL7350004 0.85 AVPR2 (0.54) HTTGAAMAPTLMNASMN1; SMN2
SCHEMBL7349526 0.84 PAX8 (0.50) HTTMAPTLMNASMN1; SMN2MEN1
SCHEMBL7355229 0.84 AVPR2 (0.52) HTTMAPTLMNASMN1; SMN2MEN1
SCHEMBL7350223 0.84 PDK1 (0.49) MAPTSMN1; SMN2PDK1PDK2PDK3
SCHEMBL7376092 0.84 MAPT (0.52) HTTMAPTLMNAMEN1KMT2A
SCHEMBL7351466 0.81 AVPR2 (0.50) PDK1PDK2PDK3PDK4

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