SCHEMBL13898535

SCHEMBL13898535

OC(COc1ccccc1)CN1CCC(O)(c2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.57
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
HIF1A Q16665 1/20 0.56
ABCB1 P08183 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
ACE2 Q9BYF1 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51

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
SCHEMBL13898527 0.90 L3MBTL1 (0.63) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL13898292 0.89 L3MBTL1 (0.69) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL13898525 0.84 L3MBTL1 (0.56) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL13898288 0.82 L3MBTL1 (0.63) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL2027615 0.82 ABCB1 (0.61) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL2027614 0.82 ABCB1 (0.61) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL7969310 0.82 L3MBTL1 (0.51) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL11812283 0.81 L3MBTL1 (0.61) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL16808047 0.81 ABCB1 (0.63) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL16808048 0.81 ABCB1 (0.63) L3MBTL1KDM4ECYP2D6TSHRHIF1A

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