SCHEMBL8764958

SCHEMBL8764958

CC1(C)CCC(CC(=O)c2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
GRIN2B Q13224 1/20 0.41
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 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
SCHEMBL465849 0.92 SMN1; SMN2 (0.46) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL465837 0.79 DRD2 (0.41) MEN1KMT2AKCNH2HTR2A
SCHEMBL252506 0.73 ALDH1A1 (0.51) CYP2D6CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL6845223 0.73 ALDH1A1 (0.51) CYP2D6CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL27626012 0.72 CYP2C19 (0.40) CYP2D6CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL14178966 0.72 MAPT (0.51) CYP2D6CYP3A4MAPTALDH1A1L3MBTL1
SCHEMBL3683716 0.72 MAPT (0.51) CYP2D6CYP3A4MAPTALDH1A1L3MBTL1
SCHEMBL14208954 0.72 MAPT (0.51) CYP2D6CYP3A4MAPTALDH1A1L3MBTL1
SCHEMBL14431671 0.72 GAA (0.55) CYP2D6CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL7860033 0.72 POLB (0.54) MAPTALDH1A1L3MBTL1KMT2A

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
EP-0784427-A1 RODENTICIDAL BAIT SYSTEMS BAYER AG (DE) 1997-07-23 EP disclosed
WO-1996009758-A1 RODENTICIDAL BAIT SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-04 WO disclosed