SCHEMBL5830746

SCHEMBL5830746

C[C]1CCCCC1Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SLC18A2 Q05940 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL28926014 0.77 CYP2D6 (0.58) CYP2D6SLC18A2ACHEALDH1A1MAPT
SCHEMBL3247871 0.75 ATM (0.58) CYP2D6SLC18A2ALDH1A1MAPTMEN1
SCHEMBL9790862 0.74 TDP1 (0.42) CYP2D6
SCHEMBL9790863 0.74 TDP1 (0.42) CYP2D6
SCHEMBL9790864 0.74 TDP1 (0.42) CYP2D6
SCHEMBL3249871 0.73 CYP2D6 (0.61) CYP2D6SLC18A2ACHEALDH1A1MAPT
SCHEMBL12405340 0.71 SLC18A2 (0.51) SLC18A2ALDH1A1MAPTMEN1HPGD
SCHEMBL11358872 0.68 CYP2D6 (0.59) CYP2D6ATM
SCHEMBL13051003 0.68 SLC6A4 (0.58) CYP2D6ACHEALDH1A1MAPTMEN1
SCHEMBL13050998 0.68 SLC6A4 (0.58) CYP2D6ACHEALDH1A1MAPTMEN1

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-1611130-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2006-01-04 EP disclosed
WO-2004093828-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2004-11-04 WO disclosed