SCHEMBL8044952

SCHEMBL8044952

Cc1ccc(C(=O)NCCCCNCC2Cc3ccccc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HDAC2 Q92769 2/20 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
SCHEMBL8046351 0.91 NPC1 (0.51) HTR1AHTR1DRAB9ANPC1DRD2
SCHEMBL8035856 0.90 NAMPT (0.50) HTR1AHTR1DRAB9ANPC1DRD2
Hydrochloric Acid SCHEMBL8152540 0.90 NPC1 (0.50) HTR1AHTR1DRAB9ANPC1DRD2
SCHEMBL8045208 0.89 NAMPT (0.52) HTR1AHTR1DTMEM97RAB9ANPC1
SCHEMBL8045277 0.89 NPC1 (0.51) HTR1AHTR1DRAB9ANPC1HDAC3
SCHEMBL8035576 0.89 HPGD (0.47) HTR1AHTR1DMEN1KMT2ARAB9A
SCHEMBL8035644 0.89 NAMPT (0.54) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL8035863 0.87 NAMPT (0.53) HTR1AHTR1DTMEM97RAB9ANPC1
SCHEMBL8045607 0.87 NAMPT (0.49) HTR1AHTR1DTMEM97RAB9ANPC1
SCHEMBL8652055 0.87 HTR1A (0.50) L3MBTL1HTR1AHTR1DRAB9ANPC1

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