SCHEMBL8050562

SCHEMBL8050562

COc1cccc(C(=O)NCCCCNCC2Cc3ccccc3O2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
THRB P10828 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 6/20 0.49
DRD4 P21917 6/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CCR3 P51677 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OPRM1 P35372 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8035644 0.89 NAMPT (0.54) NAMPTSIGMAR1DRD2HPGDMEN1
SCHEMBL8035576 0.87 HPGD (0.47) NAMPTHPGDMEN1KMT2AOPRM1
SCHEMBL8046351 0.86 NPC1 (0.51) NAMPTDRD2DRD4HPGD
SCHEMBL8045257 0.85 NAMPT (0.55) NAMPTHPGDGAAOPRM1CYP2C9
SCHEMBL8045463 0.85 NAMPT (0.57) NAMPTDRD2DRD4GAA
Hydrochloric Acid SCHEMBL8152540 0.85 NPC1 (0.50) NAMPTDRD2DRD4HPGD
SCHEMBL8035856 0.85 NAMPT (0.50) NAMPTDRD2DRD4HPGD
SCHEMBL8655180 0.84 HDAC3 (0.52) SIGMAR1DRD2DRD4OPRM1CYP2C19
SCHEMBL8045277 0.83 NPC1 (0.51) NAMPTSIGMAR1HPGD
SCHEMBL8048246 0.83 NAMPT (0.57) NAMPTDRD2

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