SCHEMBL7347166

SCHEMBL7347166

O=C(c1ccc([N+](=O)[O-])cc1)N1CC(CO)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.46
BCHE P06276 1/20 0.45
P2RX4 Q99571 1/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
DRD4 P21917 1/20 0.42
STING1 Q86WV6 1/20 0.42

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
SCHEMBL27322228 1.00 L3MBTL1 (0.47) L3MBTL1HPGDHTTBCHEP2RX4
SCHEMBL7344808 0.83 HPGD (0.48) L3MBTL1HPGDHTTBCHEP2RX4
SCHEMBL27325426 0.83 AVPR2 (0.54) HPGDP2RX4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7357354 0.83 AVPR2 (0.54) HPGDP2RX4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13239391 0.81 PNMT (0.47) L3MBTL1HPGDHTTBCHEP2RX4
SCHEMBL27311521 0.81 HPGD (0.46) L3MBTL1HPGDHTTBCHEP2RX4
SCHEMBL7346654 0.80 MAPT (0.47) L3MBTL1HPGDHTTBCHEP2RX4
SCHEMBL7346046 0.78 ALDH1A1 (0.57) L3MBTL1HPGDHTTMAPTSMN1; SMN2
SCHEMBL27315151 0.78 ALDH1A1 (0.57) L3MBTL1HPGDHTTMAPTSMN1; SMN2
SCHEMBL7351994 0.78 HPGD (0.46) L3MBTL1HPGDHTTBCHEP2RX4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
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
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN 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