SCHEMBL8035644

SCHEMBL8035644

COc1ccc(C(=O)NCCCCNCC2Cc3ccccc3O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
DHODH Q02127 1/20 0.44

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
SCHEMBL8050562 0.89 NAMPT (0.57) NAMPTCYP2C19SIGMAR1DRD2KMT2A
SCHEMBL8044952 0.89 L3MBTL1 (0.47) NPC1RAB9ASIGMAR1DRD2DRD3
SCHEMBL8046351 0.88 NPC1 (0.51) NAMPTNPC1RAB9AALDH1A1DRD2
SCHEMBL8035856 0.87 NAMPT (0.50) NAMPTNPC1RAB9AALDH1A1DRD2
Hydrochloric Acid SCHEMBL8152540 0.87 NPC1 (0.50) NAMPTNPC1RAB9AALDH1A1DRD2
SCHEMBL8045208 0.86 NAMPT (0.52) NAMPTNPC1RAB9ASIGMAR1DRD2
SCHEMBL8045277 0.86 NPC1 (0.51) NAMPTNPC1RAB9AALDH1A1SIGMAR1
SCHEMBL8035863 0.84 NAMPT (0.53) NAMPTNPC1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL8655180 0.84 HDAC3 (0.52) CYP1A2CYP2D6CYP2C19SIGMAR1DRD2
SCHEMBL8045607 0.84 NAMPT (0.49) NAMPTNPC1RAB9ASIGMAR1SMN1; SMN2

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