SCHEMBL5249356

SCHEMBL5249356

C(#Cc1ccccc1)CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.66
FFAR4 Q5NUL3 3/20 0.66
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
GRM5 P41594 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
APP P05067 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR2A P28223 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29187194 0.87 GRM5 (0.54) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL10798421 0.86 FFAR1 (0.61) FFAR1FFAR4GRM5SIGMAR1HRH3
SCHEMBL17743740 0.86 FFAR1 (0.61) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL29640566 0.86 FFAR1 (0.57) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL28585298 0.85 FFAR1 (0.51) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL28476337 0.85 FFAR1 (0.51) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL10768214 0.83 CYP1A2 (0.64) FFAR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL9303814 0.83 ALDH1A1 (0.52) FFAR1FFAR4GRM5HTR2AALDH1A1
SCHEMBL3843357 0.80 GRM5 (0.48) FFAR1FFAR4GRM5HRH3DRD2
SCHEMBL16050106 0.80 FFAR1 (0.77) FFAR1FFAR4ALDH1A1HPGDHSD17B10

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
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN claimed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP claimed
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN disclosed
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN disclosed
CN-119977812-A Method for synthesizing 1, 4-diphenyl-1-butyne derivatives by nickel catalytic reduction coupling 华南理工大学 2025-05-13 CN disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed