SCHEMBL7351994

SCHEMBL7351994

CN1CCN(C2Cc3ccccc3N(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC18A3 Q16572 1/20 0.43
WDR5 P61964 1/20 0.42
BCHE P06276 1/20 0.42
P2RX4 Q99571 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL7346654 0.91 MAPT (0.47) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL27311521 0.86 HPGD (0.46) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL7353247 0.84 AVPR2 (0.53) HPGDALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL7344808 0.82 HPGD (0.48) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL7351282 0.80 HPGD (0.57) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL13980486 0.78 HPGD (0.47) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL27322228 0.78 L3MBTL1 (0.47) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL7347166 0.78 L3MBTL1 (0.47) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL7348971 0.76 HPGD (0.55) HPGDALDH1A1L3MBTL1GAALMNA
SCHEMBL7353185 0.75 AVPR2 (0.62) HPGDALDH1A1KMT2ASMN1; SMN2NPC1

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