SCHEMBL7345701

SCHEMBL7345701

O=C(NCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.60
AVPR2 P30518 2/20 0.60
OXTR P30559 2/20 0.60

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
SCHEMBL7355834 0.92 AVPR1A (0.62) AVPR1AAVPR2OXTR
SCHEMBL7347253 0.91 AVPR1A (0.63) AVPR1AAVPR2OXTR
SCHEMBL7351249 0.89 AVPR1A (0.65) AVPR1AAVPR2OXTR
SCHEMBL7347248 0.88 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL7344822 0.88 AVPR1A (0.66) AVPR1AAVPR2OXTR
SCHEMBL7350413 0.87 AVPR1A (0.65) AVPR1AAVPR2OXTR
Hydrochloric Acid SCHEMBL7345867 0.87 AVPR1A (0.62) AVPR1AAVPR2OXTR
SCHEMBL7350583 0.87 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL7351095 0.86 AVPR1A (0.65) AVPR1AAVPR2OXTR
Hydrochloric Acid SCHEMBL7352307 0.85 AVPR2 (0.61) AVPR1AAVPR2OXTR

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 4 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-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