SCHEMBL4444784

SCHEMBL4444784

O=c1ccc2ccc(-c3cc4cc(O[C@@H]5C[C@H]6CC[C@@H](C5)N6)ccc4o3)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.59
SLC6A2 P23975 10/20 0.59
SLC6A3 Q01959 10/20 0.59
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA3 P07451 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GLA P06280 1/20 0.39

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
Ip-2018 SCHEMBL1103728 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3MAOAKDM4E
Ip-2018 SCHEMBL26041644 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3MAOAKDM4E
Ip-2018 SCHEMBL25368803 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3MAOAKDM4E
Ip-2018 SCHEMBL31440785 0.87 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MAOAKDM4E
Ip-2018 SCHEMBL2191263 0.87 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MAOAKDM4E
SCHEMBL1951771 0.83 MAOA (0.55) SLC6A4SLC6A2SLC6A3MAOAMAOB
Hydrochloric Acid SCHEMBL1952032 0.82 MAOA (0.54) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL3206669 0.75 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL1092466 0.74 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3MAOB
Hydrochloric Acid SCHEMBL1090521 0.73 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121677-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-11-25 EP claimed
WO-2008074797-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO claimed
EP-2121677-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-2008074797-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed