SCHEMBL8045463

SCHEMBL8045463

N#Cc1cccc(C(=O)NCCCCNCC2Cc3ccccc3O2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.57
HDAC3 O15379 1/20 0.47
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
MCHR1 Q99705 1/20 0.42
CCR5 P51681 1/20 0.41
ROCK2 O75116 1/20 0.40
KCNA3 P22001 1/20 0.40
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
DRD4 P21917 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL8046351 0.86 NPC1 (0.51) NAMPTHDAC3HTR1AHTR1DDRD4
SCHEMBL8045257 0.85 NAMPT (0.55) NAMPTHDAC3HTR1AHTR1DROCK2
SCHEMBL8035576 0.85 HPGD (0.47) NAMPTHDAC3HTR1AHTR1D
SCHEMBL8050562 0.85 NAMPT (0.57) NAMPTGAADRD4DRD2
SCHEMBL8035856 0.85 NAMPT (0.50) NAMPTHDAC3HTR1AHTR1DDRD4
Hydrochloric Acid SCHEMBL8152540 0.85 NPC1 (0.50) NAMPTHDAC3HTR1AHTR1DDRD4
SCHEMBL8045277 0.83 NPC1 (0.51) NAMPTHDAC3HTR1AHTR1D
SCHEMBL8048246 0.83 NAMPT (0.57) NAMPTHDAC3HTR1AHTR1DDRD2
SCHEMBL8655180 0.82 HDAC3 (0.52) HDAC3DRD4DRD2DRD3
SCHEMBL8036163 0.82 ALDH1A1 (0.53) HDAC3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP claimed
EP-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed