SCHEMBL8771344

SCHEMBL8771344

[C]C1CCc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
SMYD3 Q9H7B4 1/20 0.41
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
PLAU P00749 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL19774297 0.78 MTNR1A (0.47) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL5066 0.75 MTNR1A (0.42) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL424121 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL2295990 0.75 MTNR1A (0.42) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL2697405 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL483233 0.75 SMYD3 (0.48) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL13305784 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL4130897 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL6575709 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL1754232 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12

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
EP-0796270-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP claimed