SCHEMBL8045208

SCHEMBL8045208

O=C(NCCCCNCC1Cc2ccccc2O1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HTR1A P08908 5/20 0.45
HTR1D P28221 1/20 0.45
ACKR3 P25106 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR3 P51677 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 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
SCHEMBL8045607 0.98 NAMPT (0.49) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8046936 0.93 NAMPT (0.46) NAMPTNPC1RAB9AHTR1AOPRM1
SCHEMBL8046351 0.91 NPC1 (0.51) NAMPTNPC1RAB9AHTR1AHTR1D
Hydrochloric Acid SCHEMBL8152540 0.90 NPC1 (0.50) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8035856 0.90 NAMPT (0.50) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8035863 0.89 NAMPT (0.53) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8044952 0.89 L3MBTL1 (0.47) NPC1RAB9AHTR1AHTR1DTMEM97
SCHEMBL8045277 0.89 NPC1 (0.51) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8045257 0.89 NAMPT (0.55) NAMPTNPC1RAB9AHTR1AHTR1D
SCHEMBL8652055 0.87 HTR1A (0.50) NPC1RAB9AHTR1AHTR1DSMN1; 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