SCHEMBL7352845

SCHEMBL7352845

CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.48
WDR5 P61964 3/20 0.48
CYP2D6 P10635 1/20 0.48
AVPR2 P30518 6/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL18719800 0.84 MEN1 (0.63) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8671412 0.83 AVPR2 (0.67) MAPTMEN1KMT2ALMNANPC1
SCHEMBL7345789 0.82 AVPR2 (0.50) MAPTLMNANPC1AVPR2
SCHEMBL7351282 0.82 HPGD (0.57) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8564569 0.81 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1
SCHEMBL7348013 0.81 RXFP1 (0.51) LMNAHTTALDH1A1WDR5GAA
SCHEMBL5066806 0.81 MAPT (0.45) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8268545 0.80 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8268543 0.80 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1
SCHEMBL2952209 0.80 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1

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