SCHEMBL3344908

SCHEMBL3344908

COc1ccc(C(CNC(=O)C2CC2)NC2CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
ACACB O00763 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL15435830 0.79 LMNA (0.44) ACHEALDH1A1
SCHEMBL12526938 0.70 KDM1A (0.58) KMT2AACHEALDH1A1
SCHEMBL17189058 0.70 TSHR (0.50) KMT2AACHEMEN1
SCHEMBL7838949 0.69 KMT2A (0.74) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL7436967 0.69 ITGB3 (0.59) KMT2ANPC1PKMRAB9AACHE
SCHEMBL8928239 0.68 KMT2A (0.65) KMT2AMEN1ALDH1A1
SCHEMBL10841965 0.67 ACHE (0.52) KMT2AACHEALDH1A1
SCHEMBL10842678 0.67 ACHE (0.52) KMT2AACHEALDH1A1
SCHEMBL10842372 0.67 ACHE (0.52) KMT2AACHEALDH1A1
SCHEMBL23050851 0.65 MTNR1A (1.00) MTNR1AMTNR1BKMT2A

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-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed