SCHEMBL382812

SCHEMBL382812

CCOC(=O)c1ccc(N2CCCC2N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
P2RX3 P56373 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL382607 0.80 L3MBTL1 (0.65) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL7665407 0.78 L3MBTL1 (0.59) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL382813 0.78 L3MBTL1 (0.59) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL7658809 0.77 HTT (0.52) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL382515 0.76 HTT (0.51) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL18787387 0.75 HPGD (0.50) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL16479353 0.74 HTT (0.55) ALDH1A1MAPK1LMNANPSR1HSP90AA1
SCHEMBL7459054 0.74 FDFT1 (0.49) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL382562 0.73 HTT (0.48) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL12475054 0.73 ALDH1A1 (0.60) ALDH1A1MAPK1KMT2AMEN1L3MBTL1

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