SCHEMBL246579

SCHEMBL246579

CCOc1cc2ccc(OC3CC4CCC(C3)N4)cc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.58
SLC6A2 P23975 9/20 0.58
SLC6A3 Q01959 9/20 0.58
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
GLA P06280 1/20 0.44
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CYP1A2 P05177 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL248642 0.99 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL30747225 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL26989874 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL30747224 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL30747230 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL2316742 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL2316862 0.87 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3MAOBMAOA
Pudafensine SCHEMBL30747233 0.87 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3MAOBMAOA
SCHEMBL221770 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOBMAOA
Hydrochloric Acid SCHEMBL220690 0.84 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3MAOBMAOA

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
WO-2012000881-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-01-05 WO claimed
WO-2012000881-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-01-05 WO disclosed