SCHEMBL6933055

SCHEMBL6933055

O=[C]CCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.63
EGLN3 Q9H6Z9 1/20 0.48
PRKCI P41743 1/20 0.47

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
SCHEMBL7345114 0.92 TBXAS1 (0.70) TBXAS1
SCHEMBL2001147 0.88
SCHEMBL937596 0.80 TBXAS1 (0.95) TBXAS1PRKCI
SCHEMBL9777196 0.80 TBXAS1 (0.85) TBXAS1EGLN3PRKCI
SCHEMBL312164 0.80 TBXAS1 (0.63) TBXAS1PRKCI
SCHEMBL7033762 0.80 TBXAS1 (0.63) TBXAS1PRKCI
SCHEMBL5858630 0.80 TBXAS1 (0.63) TBXAS1PRKCI
Hydrochloric Acid SCHEMBL17746653 0.78 TBXAS1 (0.61) TBXAS1PRKCI
SCHEMBL2535103 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL285054 0.78 TBXAS1 (1.00) TBXAS1

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
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 EP 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
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed