SCHEMBL8048246

SCHEMBL8048246

O=C(NCCCCNCC1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.57
TP53BP1 Q12888 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GPR52 Q9Y2T5 2/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
TP53 P04637 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HDAC2 Q92769 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL8035863 0.90 NAMPT (0.53) NAMPTHDAC3HDAC1HTR1AHTR1D
SCHEMBL8045257 0.87 NAMPT (0.55) NAMPTHDAC3HDAC1HTR1AHTR1D
SCHEMBL8046351 0.86 NPC1 (0.51) NAMPTALDH1A1HDAC3HDAC1DRD2
SCHEMBL8035576 0.85 HPGD (0.47) NAMPTHDAC3HDAC1HTR1AHTR1D
Hydrochloric Acid SCHEMBL8152540 0.85 NPC1 (0.50) NAMPTALDH1A1HDAC3HDAC1DRD2
SCHEMBL8035856 0.85 NAMPT (0.50) NAMPTALDH1A1HDAC3HDAC1DRD2
SCHEMBL8045277 0.83 NPC1 (0.51) NAMPTALDH1A1HDAC3HDAC1HTR1A
SCHEMBL8050562 0.83 NAMPT (0.57) NAMPTDRD2
SCHEMBL8045463 0.83 NAMPT (0.57) NAMPTHDAC3DRD2DRD3HTR1A
SCHEMBL8655180 0.82 HDAC3 (0.52) HDAC3HDAC1DRD2ADRA1ADRD3

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