SCHEMBL7590756

SCHEMBL7590756

COc1ccc2c(c1)SCC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ ACHE P22303 4/20 0.42
▸ BTK Q06187 2/20 0.42
▸ MALT1 Q9UDY8 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL7594703 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL7590712 0.73 SMN1; SMN2 (0.42) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10538116 0.73 EPHX2 (0.47) EPHX2BTKKDM1AKMT2AMAOB
SCHEMBL28453494 0.72 EPHX2 (0.47) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL29500833 0.72 EPHX2 (0.47) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL29500863 0.71 EPHX2 (0.46) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL28454507 0.71 EPHX2 (0.46) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL9824427 0.71 CA1 (0.40) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765995 0.71 MTNR1A (0.62) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10542359 0.71 EPHX2 (0.43) EPHX2CA1CA2BTKKDM1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 — — US disclosed
US-5063233-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-11-05 — — US disclosed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 — — US disclosed
EP-0222996-B1 3-AMINO-DIHYDRO(1)BENZOPYRANE AND BENZOTHIOPYRANE CIBA-GEIGY AG (CH) 1991-05-22 — — EP disclosed
US-4968697-A ADENOSINE-2 RECEPTOR AGONISTS CIBA-GEIGY CORPORATION (US) 1990-11-06 — — US disclosed
US-4954504-A Hypotensive agents, psychotic disorders CIBA-GEIGY CORPORATION (US) 1990-09-04 — — US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 — — EP disclosed
US-4801605-A ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST CIBA-GEIGY CORPORATION (US) 1989-01-31 — — US disclosed
EP-0267878-A1 N9-cyclopentyl-substituted adenine derivatives CIBA-GEIGY AG (CH) 1988-05-18 — — EP disclosed
EP-0222996-A2 3-Amino-dihydro(1)benzopyrane and benzothiopyrane CIBA-GEIGY AG (CH) 1987-05-27 — — EP disclosed
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