SCHEMBL7346705

SCHEMBL7346705

NC(=O)OC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.42
P2RX4 Q99571 1/20 0.42
AVPR2 P30518 3/20 0.42
AVPR1A P37288 3/20 0.42
OXTR P30559 1/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7351374 0.88 CNR2 (0.46) HTTKMT2AAVPR2AVPR1AOXTR
SCHEMBL7345048 0.88 HTT (0.42) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL7353042 0.88 AVPR1A (0.43) HTTKMT2ALMNAMAPTAVPR2
SCHEMBL7349557 0.88 AVPR1A (0.44) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL7351816 0.85 AVPR1A (0.54) AVPR2AVPR1AOXTR
SCHEMBL7346907 0.85 HTT (0.42) HTTMAPTAVPR2AVPR1AOXTR
SCHEMBL7351328 0.83 AVPR2 (0.58) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL7345512 0.82 KDM4E (0.47) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL7345074 0.82 HTT (0.41) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL7347052 0.82 ALDH1A1 (0.44) HTTMAPTAVPR2AVPR1AOXTR

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