SCHEMBL382813

SCHEMBL382813

CCOC(=O)c1ccc(N2CC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
TSHR P16473 3/20 0.49
P2RX3 P56373 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 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
SCHEMBL7665407 1.00 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL382607 0.93 L3MBTL1 (0.65) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL382812 0.78 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL12475054 0.77 ALDH1A1 (0.60) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL240743 0.77 ALDH1A1 (0.60) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL382520 0.77 TDP1 (0.54) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL7658812 0.77 TDP1 (0.54) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL14637591 0.77 TDP1 (0.54) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL27794234 0.77 HPGD (0.52) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL2941789 0.77 P2RX3 (0.50) ALDH1A1MAPK1KMT2AMEN1TSHR

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