SCHEMBL7346451

SCHEMBL7346451

CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 1/20 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
SCHEMBL7353054 0.97 AVPR1A (0.62) RAB9A
SCHEMBL7350530 0.89 TSHR (0.77) TSHRSMN1; SMN2
SCHEMBL7344622 0.88 AVPR1A (0.61) TSHRSMN1; SMN2
SCHEMBL7353560 0.87 TSHR (0.72) TSHRSMN1; SMN2
SCHEMBL7348562 0.86 TSHR (0.70) TSHRSMN1; SMN2
SCHEMBL7352763 0.83 RAB9A (0.65) RAB9A
SCHEMBL7345982 0.82 RAB9A (0.78) RAB9A
SCHEMBL7345828 0.82
SCHEMBL7348119 0.82 RAB9A (0.64) RAB9A
SCHEMBL7345753 0.82 RAB9A (0.64) RAB9A

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