SCHEMBL7594703

SCHEMBL7594703

COc1cccc2c1CC(NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.44
▸ MTNR1B P49286 8/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8074255 0.78 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL28356770 0.77 MTNR1A (0.45) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7590756 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2CA1CA2
Hydrochloric Acid SCHEMBL9825484 0.74 DRD2 (0.53) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6068960 0.73 EPHX2 (0.45) EPHX2KDM1AMAOBMALT1DRD2
SCHEMBL6068965 0.73 EPHX2 (0.45) EPHX2KDM1AMAOBMALT1DRD2
SCHEMBL9763023 0.73 CYP1A2 (0.46) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9083055 0.73 DRD2 (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL10617600 0.72 EPHX2 (0.47) MTNR1AMTNR1BEPHX2
SCHEMBL9825214 0.71 ACHE (0.38) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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 13 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-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 — — US 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-0280269-A1 3-Amino-dihydro-[1]-benzopyrans and benzothiopyrans CIBA-GEIGY AG (CH) 1988-08-31 — — EP disclosed
EP-0277917-A2 Certain adenosine 5'-carboxamide derivatives CIBA-GEIGY AG (CH) 1988-08-10 — — EP 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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