Sugi Predict

Sugi Predict / Compounds / SCHEMBL4757240

SCHEMBL4757240

SCHEMBL4757240

CCN1CCC(C(=O)OC)C(c2ccccc2C)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 6/20 0.45
▸ CHRM4 P08173 6/20 0.45
▸ CHRM5 P08912 6/20 0.45
▸ CHRM1 P11229 6/20 0.45
▸ CHRM3 P20309 6/20 0.45
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13041175 0.78 S1PR1 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL3436384 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL3436382 0.78 S1PR1 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL5006473 0.77 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL10839544 0.76 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL10276962 0.72 HTR2C (0.47) SLC6A4
SCHEMBL7818044 0.72 SLC6A2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4754551 0.71 GPR119 (0.44) ALDH1A1
SCHEMBL3702527 0.71 PDE4B (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1896746 0.70 USP30 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 — — WO disclosed
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