SCHEMBL383362

SCHEMBL383362

CCOC(=O)c1ccc(N2CC[C@@H](N)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PIM1 P11309 1/20 0.56
CLK2 P49760 1/20 0.56
MAP4K2 Q12851 1/20 0.56
CAMK2D Q13557 1/20 0.56
DYRK1A Q13627 1/20 0.56
PIM3 Q86V86 1/20 0.56
AURKB Q96GD4 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
STK17A Q9UEE5 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL382516 1.00 PRKD3 (0.56) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7468160 0.92 DPP4 (0.56) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7051582 0.92 DPP4 (0.56) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL378149 0.92 HPGD (0.54) PRKD3MAP4K4PIM1CLK2MAP4K2
Hydrochloric Acid SCHEMBL6139554 0.90 HPGD (0.52) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL382520 0.85 TDP1 (0.54) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL14637591 0.85 TDP1 (0.54) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL27794234 0.85 HPGD (0.52) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL7658812 0.85 TDP1 (0.54) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL3457437 0.85 HPGD (0.55) HTTHPGDMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed