SCHEMBL5218252

SCHEMBL5218252

CCCCOC(=O)N1CCC(C(=O)OC)C(c2ccc(F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PDE4B Q07343 1/20 0.41

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
SCHEMBL14920208 0.92 SLC18A2 (0.44) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5221088 0.85 TACR1 (0.48)
SCHEMBL27738717 0.81 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4252028 0.81 PDE4B (0.57) SLC6A3SLC6A2SLC6A4PDE4B
SCHEMBL3002077 0.81 PDE4B (0.57) SLC6A3SLC6A2SLC6A4PDE4B
SCHEMBL4252019 0.81 PDE4B (0.57) SLC6A3SLC6A2SLC6A4PDE4B
SCHEMBL3002073 0.81 PDE4B (0.57) SLC6A3SLC6A2SLC6A4PDE4B
SCHEMBL18344984 0.76 L3MBTL1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14921678 0.76 PDE4B (0.44) SLC6A3PDE4B
SCHEMBL18780282 0.76 PDE4B (0.44) SLC6A3PDE4B

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
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2006004195-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-01-12 WO disclosed