SCHEMBL7352245

SCHEMBL7352245

C=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.47
BCHE P06276 1/20 0.46
P2RX4 Q99571 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 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
SCHEMBL6990464 0.88 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7345718 0.84 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6961951 0.84 MAPT (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6961949 0.84 MAPT (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6968459 0.83 BCHE (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7352388 0.83 ALDH1A1 (0.69) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7352575 0.81 ALDH1A1 (0.56) MAPTALDH1A1LMNAUSP2HTT
SCHEMBL8562104 0.81 HPGD (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6959618 0.79 AVPR2 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7351070 0.78 AVPR2 (0.67) MEN1KMT2AMAPTALDH1A1LMNA

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 6 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
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