SCHEMBL7346571

SCHEMBL7346571

CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
AVPR2 P30518 2/20 0.47
OXTR P30559 2/20 0.47
AVPR1A P37288 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HTR1A P08908 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 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
SCHEMBL7350202 0.91 KMT2A (0.51) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL7351282 0.85 HPGD (0.57) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL7348971 0.81 HPGD (0.55) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL7343719 0.80 HPGD (0.51) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL7346502 0.78 BCHE (0.51) ALDH1A1HPGDL3MBTL1MAPTLMNA
SCHEMBL7352388 0.77 ALDH1A1 (0.69) KMT2AALDH1A1MEN1L3MBTL1AVPR2
SCHEMBL6959618 0.76 AVPR2 (0.68) KMT2AALDH1A1MEN1L3MBTL1AVPR2
SCHEMBL7345332 0.75 HPGD (0.48) KMT2AALDH1A1MEN1HPGDL3MBTL1
SCHEMBL7351070 0.75 AVPR2 (0.67) KMT2AALDH1A1MEN1L3MBTL1AVPR2
SCHEMBL7348443 0.75 AVPR2 (0.60) KMT2AALDH1A1MEN1HPGDAVPR2

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