SCHEMBL7349745

SCHEMBL7349745

CN1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3Cl)cc2)c2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.55
AVPR1A P37288 5/20 0.55
OXTR P30559 1/20 0.50

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
SCHEMBL7351705 0.87 AVPR2 (0.52) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL7383366 0.86 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8557550 0.83 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL7355568 0.83 ACHE (0.54) AVPR2AVPR1A
SCHEMBL7351890 0.82 AVPR1A (0.72) AVPR2AVPR1AOXTR
SCHEMBL7335096 0.81 AVPR2 (0.82) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL7350665 0.81 AVPR1A (0.71) AVPR2AVPR1AOXTR
SCHEMBL7352577 0.80 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL7344384 0.80 AVPR1A (0.63) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL7354212 0.79 AVPR1A (0.62) AVPR2AVPR1AOXTR

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 8 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
US-5504085-A TREATING ISCHEMIA, ANOXIA, HYPOGLYCEMIA AND HEAD, SPINAL CORD TRAUMA NOVO NORDISK A/S (DK) 1996-04-02 US disclosed
EP-0633885-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-01-18 EP disclosed
WO-1993006103-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-01 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed