SCHEMBL7348076

SCHEMBL7348076

O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)C1CCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.65
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7351343 1.00 AVPR1A (0.65) AVPR1AMEN1KMT2A
SCHEMBL7345969 1.00 AVPR1A (0.65) AVPR1AMEN1KMT2A
SCHEMBL7354065 0.97 AVPR1A (0.70) AVPR1A
SCHEMBL7348037 0.97 AVPR1A (0.70) AVPR1A
SCHEMBL7349498 0.87 AVPR1A (0.66) AVPR1A
SCHEMBL7354990 0.85 ALDH1A1 (0.54) AVPR1A
SCHEMBL7348826 0.85 AVPR1A (0.52) AVPR1A
Hydrochloric Acid SCHEMBL7346524 0.84 AVPR1A (0.51) AVPR1AMEN1KMT2A
SCHEMBL27331741 0.84 AVPR1A (0.49) AVPR1A
SCHEMBL7346007 0.84 AVPR1A (0.61) AVPR1AMEN1KMT2A

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
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
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed