SCHEMBL446373

SCHEMBL446373

COC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
USP30 Q70CQ3 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL383021 0.91 DRD2 (0.49) DRD2DRD3KDM4EUSP30ITGB3
SCHEMBL7653004 0.88 NPC1 (0.49) DRD2DRD3MAPTALDH1A1NPC1
SCHEMBL382924 0.87 ALDH1A1 (0.48) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL6507428 0.85 KDM4E (0.46) DRD2DRD3MAPTALDH1A1NPC1
SCHEMBL382100 0.81 ITGB3 (0.46) DRD2DRD3USP30ITGB3ITGAV
SCHEMBL382099 0.81 ITGB3 (0.54) DRD2DRD3KDM4EUSP30ITGB3
SCHEMBL382101 0.81 ITGB3 (0.46) DRD2DRD3USP30ITGB3ITGAV
SCHEMBL383205 0.80 MAPT (0.57) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL12643734 0.80 MAPT (0.72) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL381827 0.80 USP30 (0.45) DRD2DRD3USP30ITGB3ITGAV

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