SCHEMBL8696089

SCHEMBL8696089

O[CH]C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
THPO P40225 1/20 0.41
FFAR1 O14842 3/20 0.41
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM5 P41594 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL28399346 0.78 APP (0.48) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9146168 0.78 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5507858 0.78 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5507856 0.78 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL23754282 0.76 APP (0.92) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL27536234 0.76 APP (0.92) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL30472716 0.76 APP (0.67) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL840229 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2092476 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL136424 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US claimed
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US disclosed
EP-0805809-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS State of Oregon through Oregon State Board of Higher Education for and on behalf of Oregon Health Sc. Univ. & Univ. of Oregon (US) 1997-11-12 EP disclosed
WO-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed
US-5475008-A Selective non-competitive antagonists of n-methyl-d-aspartate receptors MERCK SHARP & DOHME LIMITED (GB) 1995-12-12 US disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
EP-0614363-A1 QUINOLONE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-09-14 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
WO-1993010783-A2 QUINOLONE DERIVATIVES AND THEIR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 WO disclosed