SCHEMBL13629924

SCHEMBL13629924

CC(=O)C1CCN(CC(=O)c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KCNH2 Q12809 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 1/20 0.53
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CHRM3 P20309 1/20 0.48
LMNA P02545 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GRIN2B Q13224 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL14189783 0.87 ALDH1A1 (0.59) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL9500234 0.86 HTR2A (0.64) ALDH1A1KCNH2HTR2AHTR2CSMN1; SMN2
Hydrochloric Acid SCHEMBL9501491 0.84 HTR2A (0.62) ALDH1A1KCNH2HTR2AHTR2CSMN1; SMN2
SCHEMBL12859265 0.84 KMT2A (0.64) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL11402919 0.82 ADRA1A (0.64) KCNH2HTR2AKMT2AMEN1SIGMAR1
SCHEMBL17430893 0.82 ALDH1A1 (0.54) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL12424250 0.81 ALDH1A1 (0.56) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL12384479 0.81 ALDH1A1 (0.56) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL4875267 0.81 ALDH1A1 (0.79) ALDH1A1KCNH2HTR2AHTR2CMAPT
SCHEMBL4308106 0.81 ALDH1A1 (0.59) ALDH1A1KCNH2HTR2AHTR2CMAPT

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