SCHEMBL5327477

SCHEMBL5327477

CCCOc1ccc(C(CC)C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ACACB O00763 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 1/20 0.47
GPR88 Q9GZN0 1/20 0.47
ACACA Q13085 3/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL11081564 0.85 MMP9 (0.56) MMP9MMP8MMP13LMNAGAA
SCHEMBL28594599 0.83 TAS1R3 (0.51) LMNAACACBPLK1GPR88ACACA
SCHEMBL28140713 0.81 AKR1C3 (0.54) MMP9MMP8MMP13CA1CA2
SCHEMBL11080561 0.79 MMP9 (0.64) MMP9MMP8MMP13LMNAGAA
SCHEMBL6325271 0.79 LMNA (0.68) MMP9MMP8MMP13LMNAGAA
SCHEMBL11278038 0.77 LMNA (0.58) MMP9MMP8MMP13LMNAGAA
SCHEMBL31437697 0.77 GAA (0.62) MMP9MMP8MMP13LMNAGAA
SCHEMBL5213990 0.76 MAPK1 (0.57) MMP9MMP8MMP13LMNAL3MBTL1
SCHEMBL4943215 0.75 LMNA (0.54) MMP9MMP8MMP13LMNATDP1
SCHEMBL28234925 0.75 CRHBP (0.53) MMP9MMP8MMP13LMNAHTT

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-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed