SCHEMBL13898514

SCHEMBL13898514

O[C@@H](COc1ccccc1)CN1CCC(O)(c2ccc(Cc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TSHR P16473 2/20 0.53
CYP2D6 P10635 1/20 0.53
HIF1A Q16665 1/20 0.53
CACNA1G O43497 1/20 0.53
KCNH2 Q12809 1/20 0.53
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 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
SCHEMBL13898309 1.00 ABCB1 (0.57) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL13898525 0.90 L3MBTL1 (0.56) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16808048 0.90 ABCB1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16808047 0.90 ABCB1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL11807670 0.89 TSHR (0.62) ABCB1KDM4ETSHRCYP2D6CACNA1G
SCHEMBL13898292 0.86 L3MBTL1 (0.69) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL13898288 0.84 L3MBTL1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL13898527 0.84 L3MBTL1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL11813239 0.84 CACNA1G (0.68) TSHRCACNA1GKCNH2
SCHEMBL11812283 0.83 L3MBTL1 (0.61) ABCB1L3MBTL1KDM4ETSHRCYP2D6

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