SCHEMBL366194

SCHEMBL366194

COCCN(C)CC(=O)c1c2ccccc2n2cc(C(C)=O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
NAMPT P43490 2/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EGFR P00533 2/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.33
SLC6A9 P48067 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KAT2B Q92831 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33

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
SCHEMBL364980 0.90 KDM4E (0.37) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL365938 0.89 S1PR3 (0.34) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL364305 0.88 ALDH1A1 (0.36) CNR2ALDH1A1HPGDHDAC10HDAC6
SCHEMBL366838 0.84 ALDH1A1 (0.41) CNR2ALDH1A1HPGDHDAC10HDAC6
SCHEMBL366193 0.83 ALDH1A1 (0.36) CNR1ALDH1A1HPGDNAMPTKMT2A
SCHEMBL366186 0.80 ALDH1A1 (0.39) CNR2ALDH1A1HPGDTSHRHDAC10
SCHEMBL367569 0.79 SRC (0.46) ALDH1A1HPGDSMN1; SMN2EGFRKMT2A
SCHEMBL365762 0.78 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2KMT2AGAA
SCHEMBL366442 0.78 ALDH1A1 (0.42) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL366239 0.77 PLA2G2A (0.41) CNR2ALDH1A1HPGDTSHRKMT2A

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed