SCHEMBL8035576

SCHEMBL8035576

Cc1cccc(C(=O)NCCCCNCC2Cc3ccccc3O2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8045655 0.94 HPGD (0.48) HPGDNPC1RAB9AOPRM1OPRK1
SCHEMBL8044952 0.89 L3MBTL1 (0.47) HPGDNPC1RAB9AOPRM1OPRK1
SCHEMBL8046351 0.88 NPC1 (0.51) HPGDNPC1RAB9AHDAC3HDAC1
SCHEMBL8045257 0.88 NAMPT (0.55) HPGDNPC1RAB9AOPRM1HDAC3
SCHEMBL8050562 0.87 NAMPT (0.57) HPGDOPRM1MEN1KMT2ANAMPT
SCHEMBL8035856 0.87 NAMPT (0.50) HPGDNPC1RAB9AHDAC3HDAC1
Hydrochloric Acid SCHEMBL8152540 0.87 NPC1 (0.50) HPGDNPC1RAB9AHDAC3HDAC1
SCHEMBL8045277 0.86 NPC1 (0.51) HPGDNPC1RAB9AHDAC3HDAC1
SCHEMBL8048246 0.85 NAMPT (0.57) HDAC3HDAC1HTR1AHTR1DNAMPT
SCHEMBL8045463 0.85 NAMPT (0.57) HDAC3HTR1AHTR1DNAMPT

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