SCHEMBL382149

SCHEMBL382149

CCOC(=O)c1ccc(N2CC[C@H](Nc3ncccn3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
METAP1 P53582 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
NOS2 P35228 1/20 0.47
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
DGAT1 O75907 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL383015 1.00 OPRK1 (0.51) OPRK1METAP1MAPTALDH1A1KDM4E
SCHEMBL7468246 0.94 OPRK1 (0.49) OPRK1METAP1MAPTALDH1A1KDM4E
SCHEMBL7054705 0.94 OPRK1 (0.49) OPRK1METAP1MAPTALDH1A1KDM4E
SCHEMBL382510 0.93 NOS2 (0.51) OPRK1METAP1MAPTALDH1A1KDM4E
SCHEMBL7469397 0.83 NOS2 (0.56) OPRK1METAP1MAPTALDH1A1KDM4E
SCHEMBL382583 0.83 CASR (0.54) METAP1DRD2DRD3HDAC1HDAC8
SCHEMBL383181 0.83 CASR (0.54) METAP1DRD2DRD3HDAC1HDAC8
SCHEMBL7466048 0.82 OPRK1 (0.51) OPRK1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL7471294 0.82 NOS2 (0.48) OPRK1MAPTALDH1A1HTTMAPK1
SCHEMBL17832692 0.79 P2RY12 (0.49) ALDH1A1KDM4EHSD17B10NOS2DRD2

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