SCHEMBL15325666

SCHEMBL15325666

COC(=O)CCn1cnc2cc(OC(=O)N(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KMT2A Q03164 3/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL16583755 0.91 BCHE (0.46) MTNR1AMTNR1BKMT2ACNR2GAA
Hydrochloric Acid SCHEMBL16583753 0.90 BCHE (0.45) MTNR1AMTNR1BKMT2ACNR2GAA
SCHEMBL15325667 0.82 MTNR1A (0.51) MTNR1AMTNR1BCNR2MAPTEGLN3
SCHEMBL15323905 0.81 BCHE (0.47) KMT2ACNR2GAAHPGDEGLN3
Hydrochloric Acid SCHEMBL16583804 0.77 BCHE (0.44) MTNR1AMTNR1BKMT2ACNR2GAA
SCHEMBL3044408 0.75 EGLN3 (0.68) GAAHPGDMAPTRAB9AEGLN3
SCHEMBL28306951 0.74 PKM (0.59) KMT2AGAAHPGDMAPTMEN1
SCHEMBL30458035 0.74 PKM (0.59) KMT2AGAAHPGDMAPTMEN1
SCHEMBL27968564 0.74 MAPT (0.66) KMT2AMAPTRAB9AMEN1SMN1; SMN2
SCHEMBL11343677 0.73 MAPT (0.48) MTNR1AMTNR1BKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013150529-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2013-10-10 WO disclosed