SCHEMBL7346502

SCHEMBL7346502

CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
P2RX4 Q99571 1/20 0.51
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HTT P42858 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL7355012 0.92 BCHE (0.49) BCHEP2RX4HPGDL3MBTL1HTR1A
SCHEMBL7349991 0.86 L3MBTL1 (0.46) BCHEP2RX4HPGDL3MBTL1HTR1A
SCHEMBL6968459 0.86 BCHE (0.56) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL7351282 0.82 HPGD (0.57) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL7350669 0.80 AVPR2 (0.58) P2RX4HPGDALDH1A1MAPTLMNA
SCHEMBL6959468 0.78 AVPR2 (0.42) BCHEP2RX4L3MBTL1ALDH1A1MAPT
SCHEMBL7348971 0.78 HPGD (0.55) HPGDL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL7346571 0.78 KMT2A (0.49) HPGDL3MBTL1HTR1AALDH1A1MAPT
SCHEMBL7352388 0.77 ALDH1A1 (0.69) L3MBTL1ALDH1A1MAPTLMNAMAPK1
SCHEMBL7350564 0.77 HTT (0.47) BCHEP2RX4HPGDL3MBTL1ALDH1A1

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