SCHEMBL7272155

SCHEMBL7272155

COc1ccc2c(c1)C(=O)C(=NO)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
METAP1 P53582 2/20 0.51
CYP19A1 P11511 2/20 0.50
MAPK14 Q16539 7/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOA P21397 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7272150 1.00 MAOB (0.52) MAOBMETAP1CYP19A1MAPK14NPC1
SCHEMBL18746297 0.89 MAPT (0.53) METAP1CYP19A1MAPK14NPC1RAB9A
SCHEMBL10458884 0.89 MAPT (0.53) METAP1CYP19A1MAPK14NPC1RAB9A
SCHEMBL356453 0.87 MAPT (0.51) MAOBCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL356454 0.87 MAPT (0.51) MAOBCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL31147657 0.87 MAPT (0.51) MAOBCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL31167959 0.87 MAPT (0.51) MAOBCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL5969900 0.87 MAPT (0.51) MAOBCYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL19330671 0.86 METAP1 (0.51) MAOBMETAP1CYP19A1MAPK14NPC1
SCHEMBL19330670 0.86 METAP1 (0.51) MAOBMETAP1CYP19A1MAPK14NPC1

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
EP-0179855-B1 DOPAMINE AGONISTS Whitby Research Incorporated (US) 1992-07-29 EP disclosed
EP-0179855-A4 DOPAMINE AGONISTS. NELSON RES & DEV COMPANY (US) 1986-08-21 EP disclosed
EP-0179855-A1 DOPAMINE AGONISTS. NELSON RES & DEV (US) 1986-05-07 EP disclosed
WO-1985004582-A1 NOVEL DOPAMINE AGONISTS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1985-10-24 WO disclosed
US-4540691-A Dopamine agonists and use thereof NELSON RESEARCH & DEVELOPMENT CO. (US) 1985-09-10 US disclosed
US-4420480-A PARKINSONISM, DEPRESSION, HYPOTENSIVES MERCK & CO., INC. (US) 1983-12-13 US disclosed
EP-0080115-A2 Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them MERCK & CO. INC. (US) 1983-06-01 EP disclosed