SCHEMBL7346743

SCHEMBL7346743

CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.62
AVPR1A P37288 1/20 0.62
RAB9A P51151 1/20 0.59

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
SCHEMBL7351943 0.88 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7352772 0.86 AVPR1A (0.82) AVPR2AVPR1A
SCHEMBL7345086 0.83 AVPR1A (0.74) AVPR2AVPR1A
SCHEMBL7345982 0.81 RAB9A (0.78) RAB9A
SCHEMBL7349675 0.81 AVPR1A (0.53) AVPR2AVPR1A
SCHEMBL7348778 0.81 AVPR1A (0.76) AVPR2AVPR1ARAB9A
SCHEMBL7351919 0.80 AVPR2 (0.48) AVPR2AVPR1ARAB9A
SCHEMBL7349166 0.80 AVPR1A (0.74) AVPR2AVPR1ARAB9A
SCHEMBL7343228 0.79 AVPR2 (0.63) AVPR2AVPR1ARAB9A
SCHEMBL7347158 0.79 AVPR1A (0.72) AVPR2AVPR1A

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 7 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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO 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