SCHEMBL13629805

SCHEMBL13629805

CC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
HSD11B1 P28845 5/20 0.69
MGLL Q99685 3/20 0.67
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
TEAD1 P28347 1/20 0.61
EPHX2 P34913 1/20 0.53
RHOC P08134 1/20 0.53
RHOA P61586 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
UBE2M P61081 2/20 0.51
DCUN1D1 Q96GG9 2/20 0.51

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
SCHEMBL4526323 0.87 GAA (0.76) GAATDP1HSD11B1MGLLMEN1
SCHEMBL8280316 0.85 GAA (0.69) GAATDP1HSD11B1MGLLMEN1
SCHEMBL30964009 0.84 GAA (0.73) GAATDP1HSD11B1MGLLMEN1
SCHEMBL8537331 0.83 HSD11B1 (0.74) GAAHSD11B1MGLLMEN1KMT2A
SCHEMBL5536446 0.83 GAA (0.71) GAATDP1HSD11B1MGLLMEN1
SCHEMBL23775473 0.82 GAA (0.74) GAATDP1HSD11B1MGLLMEN1
SCHEMBL1720793 0.82 HSD11B1 (0.81) GAATDP1HSD11B1MGLLMEN1
SCHEMBL13314119 0.81 MGLL (0.64) GAAHSD11B1MGLLMEN1KMT2A
SCHEMBL4468382 0.81 GAA (0.64) GAATDP1HSD11B1MGLLMEN1
SCHEMBL13503768 0.81 GAA (0.64) GAATDP1HSD11B1MGLLMEN1

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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed