SCHEMBL4555749

SCHEMBL4555749

COc1c(-c2ccccc2)c(=O)oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
STAT1 P42224 1/20 0.43
CYP19A1 P11511 3/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4555750 1.00 MAOA (0.44) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3399289 0.90 MAOA (0.41) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3399293 0.90 MAOA (0.41) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3393120 0.83 SLC6A4 (0.54) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3393119 0.83 SLC6A4 (0.54) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL4758034 0.72 OPRK1 (0.46) KDM4E
SCHEMBL4758033 0.72 OPRK1 (0.46) KDM4E
SCHEMBL20958347 0.71 SLC6A2 (0.50) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20958343 0.71 SLC6A2 (0.50) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20958345 0.71 SLC6A2 (0.50) ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121678-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2009-11-25 EP disclosed
WO-2008074798-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed