SCHEMBL8045274

SCHEMBL8045274

Cc1ccc(C(=O)NCCCCN(CC2Cc3ccccc3O2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NAMPT P43490 2/20 0.38
TMEM97 Q5BJF2 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CA14 Q9ULX7 1/20 0.37
DRD4 P21917 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8035914 0.94 HDAC1 (0.41) HRH1DRD2DRD3HDAC3HDAC1
SCHEMBL8045372 0.92 ACKR3 (0.43) DRD2DRD3HDAC3HDAC1HDAC2
SCHEMBL8045204 0.91 NAMPT (0.46) HRH1DRD2DRD3HDAC3HDAC1
SCHEMBL8047095 0.91 NAMPT (0.47) HRH1DRD2DRD3HDAC3HDAC1
SCHEMBL8046983 0.91 NPC1 (0.40) HRH1HDAC3HDAC1NAMPTTMEM97
SCHEMBL8788153 0.90 NAAA (0.40) HRH1L3MBTL1DRD2DRD3HDAC3
SCHEMBL8787540 0.89 HDAC3 (0.46) DRD2DRD3HDAC3HDAC1HDAC2
SCHEMBL8035884 0.88 HPGD (0.44) HRH1DRD2DRD3HDAC3HDAC1
SCHEMBL8787545 0.88 HDAC3 (0.38) HRH1DRD2DRD3LMNAHDAC3
SCHEMBL8787728 0.87 HDAC3 (0.37) HRH1DRD2DRD3HDAC3HDAC1

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 2 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 disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed