SCHEMBL7350448

SCHEMBL7350448

O=[C]CCCCC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.40
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
CEL P19835 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL97094 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1335898 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7458663 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7457536 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL2178634 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7457427 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7452816 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL98103 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7458143 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7348009 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8

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
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN 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