SCHEMBL13898533

SCHEMBL13898533

O=C(CN1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1)NC1CC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 3/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 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
SCHEMBL13898537 0.83 LMNA (0.58) LMNASMN1; SMN2ALDH1A1KDM4EKDM1A
SCHEMBL3896702 0.83 LMNA (0.58) LMNASMN1; SMN2ALDH1A1KDM4EKDM1A
SCHEMBL7475866 0.82 MMP3 (0.51) LMNASMN1; SMN2EPHX2ALDH1A1MEN1
SCHEMBL3894318 0.78 ALDH1A1 (0.50) LMNASMN1; SMN2POLBMAPK1HTT
SCHEMBL13898312 0.77 DRD2 (0.49) LMNAALDH1A1MEN1KMT2A
SCHEMBL3893429 0.77 DRD2 (0.49) LMNAALDH1A1MEN1KMT2A
SCHEMBL3894096 0.76 DRD2 (0.56) LMNAALDH1A1MEN1KMT2A
SCHEMBL3891373 0.75 ALDH1A1 (0.53) LMNASMN1; SMN2POLBMAPK1HTT
SCHEMBL14747464 0.71 KDM1A (0.46) SMN1; SMN2EPHX2KDM1AMAOB
SCHEMBL2776196 0.71 SMN1; SMN2 (0.55) SMN1; SMN2EPHX2KDM1AMAOB

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-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed