SCHEMBL7352893

SCHEMBL7352893

CCOC(=O)COC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
AVPR2 P30518 4/20 0.41
AVPR1A P37288 4/20 0.41
OXTR P30559 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL7347052 0.89 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1POLBL3MBTL1AVPR2
SCHEMBL7345463 0.87 AVPR1A (0.46) AVPR2AVPR1AOXTR
SCHEMBL7351374 0.83 CNR2 (0.46) SMN1; SMN2ALDH1A1POLBKMT2AAVPR2
SCHEMBL7345074 0.81 HTT (0.41) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL7345048 0.81 HTT (0.42) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL7346907 0.81 HTT (0.42) SMN1; SMN2ALDH1A1POLBAVPR2AVPR1A
SCHEMBL7346705 0.81 HTT (0.43) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL7352960 0.80 HTT (0.41) SMN1; SMN2ALDH1A1POLBAVPR2AVPR1A
SCHEMBL7344248 0.80 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7353042 0.79 AVPR1A (0.43) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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-5587377-A HYPOTENSIVE AGENT INVAMED, INC. (US) 1996-12-24 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
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed