SCHEMBL6593985

SCHEMBL6593985

CCOC(=O)C(O)(c1ccncn1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A3 Q01959 2/20 0.46
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
HRH1 P35367 1/20 0.40
SLC29A1 Q99808 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6925355 0.78 LMNA (0.44) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL31292082 0.76 NAMPT (0.39) MEN1KMT2ACYP3A4CYP1A2ABCB11
SCHEMBL27482018 0.75 CYP19A1 (0.34) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL17420592 0.74 MAPK1 (0.40) ALDH1A1LMNAPOLBKMT2AL3MBTL1
SCHEMBL3913293 0.73 ALDH1A1 (0.70) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL5667254 0.73 ALDH1A1 (0.70) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL4200385 0.73 ALDH1A1 (0.55) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL290176 0.72 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL13574067 0.72 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3ALDH1A1
SCHEMBL13574070 0.72 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed