SCHEMBL7347376

SCHEMBL7347376

CCN(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
P2RY1 P47900 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB11 O95342 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM1 P11229 1/20 0.43
AVPR2 P30518 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
AVPR1B P47901 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7347343 0.89 OXTR (0.53) HTTALDH1A1MAPTOXTRAVPR1A
SCHEMBL27314182 0.89 OXTR (0.53) HTTALDH1A1MAPTOXTRAVPR1A
SCHEMBL7380286 0.85 AVPR1A (0.49) OXTRAVPR1AABCB11HTR1ACHRM1
SCHEMBL4685326 0.83 AVPR1A (0.62) OXTRAVPR1AABCB11HTR1ACHRM1
SCHEMBL7350275 0.82 HTT (0.47) HTTALDH1A1MAPTP2RY1KMT2A
SCHEMBL7350564 0.81 HTT (0.47) HTTALDH1A1MAPTP2RY1KMT2A
SCHEMBL7349304 0.76 AVPR2 (0.53) OXTRAVPR1AABCB11HTR1ACHRM1
SCHEMBL7351328 0.76 AVPR2 (0.58) HTTALDH1A1MAPTOXTRAVPR1A
SCHEMBL7347052 0.75 ALDH1A1 (0.44) HTTALDH1A1MAPTOXTRAVPR1A
SCHEMBL7345512 0.75 KDM4E (0.47) HTTALDH1A1MAPTOXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
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
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed