SCHEMBL7345332

SCHEMBL7345332

O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
BCHE P06276 1/20 0.45
P2RX4 Q99571 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL13980486 0.88 HPGD (0.47) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL7349550 0.84 AVPR2 (0.59) HPGDKMT2AALDH1A1POLBNPC1
SCHEMBL7351282 0.80 HPGD (0.57) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL7351070 0.78 AVPR2 (0.67) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL7352388 0.78 ALDH1A1 (0.69) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL7348971 0.78 HPGD (0.55) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL6959618 0.77 AVPR2 (0.68) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL7343719 0.77 HPGD (0.51) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL7350202 0.77 KMT2A (0.51) HPGDKMT2AMAPTALDH1A1LMNA
SCHEMBL6968459 0.76 BCHE (0.56) HPGDKMT2AMAPTALDH1A1LMNA

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