SCHEMBL11568412

SCHEMBL11568412

CCOC(=O)N1CCC(Nc2ccccc2)(C(=O)CC)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
APP P05067 4/20 0.47
TSHR P16473 2/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL11569029 0.90 MAPT (0.63) MAPTAPPTSHRABL1POLB
SCHEMBL800531 0.88 MAPT (0.58) MAPTAPPTSHRABL1POLB
SCHEMBL5067988 0.87 MAPT (0.56) MAPTAPPTSHRABL1POLB
SCHEMBL780425 0.86 MAPT (0.62) MAPTAPPTSHRABL1POLB
SCHEMBL13422548 0.84 MAPT (0.53) MAPTAPPTSHRABL1POLB
SCHEMBL13451568 0.83 MAPT (0.52) MAPTAPPTSHRABL1POLB
SCHEMBL19690767 0.80 MAPT (0.48) MAPTTSHRKDM4E
SCHEMBL11563820 0.77 CA12 (0.47) KMT2AALDH1A1
SCHEMBL11563591 0.76 CA12 (0.46) POLBMEN1KMT2A
SCHEMBL11564443 0.76 CA12 (0.59) CHRM3

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
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed