SCHEMBL8035896

SCHEMBL8035896

CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccccc1F)CC1Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
CA14 Q9ULX7 1/20 0.39
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HCN1 O60741 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8035884 0.91 HPGD (0.44) CA14DRD3MEN1KMT2ANPC1
SCHEMBL8053214 0.90 CA14 (0.39) CA14DRD3HDAC3HDAC1LMNA
SCHEMBL8047679 0.89 NAMPT (0.47) NAMPTDRD3MEN1KMT2AHDAC3
SCHEMBL8787183 0.88 DRD3 (0.41) CA14DRD3ALDH1A1HRH1HPGD
SCHEMBL8045372 0.88 ACKR3 (0.43) NAMPTCA14DRD3NPC1HDAC3
SCHEMBL8035914 0.87 HDAC1 (0.41) NAMPTCA14DRD3NPC1HDAC3
SCHEMBL8035950 0.87 HCRTR1 (0.38) NAMPTCA14DRD3HDAC3HDAC1
SCHEMBL8035904 0.85 NAMPT (0.46) NAMPTCA14DRD3LMNAHPGD
SCHEMBL8045204 0.85 NAMPT (0.46) NAMPTCA14DRD3HDAC3HDAC1
SCHEMBL8045274 0.85 HRH1 (0.40) NAMPTCA14DRD3MEN1KMT2A

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 2 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 disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed