SCHEMBL7411897

SCHEMBL7411897

CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NPY1R P25929 1/20 0.42
MC4R P32245 1/20 0.42
NPY2R P49146 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
VCAM1 P19320 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL7977952 0.87 LMNA (0.45) MAPK1LMNAL3MBTL1NPY1RMC4R
SCHEMBL4443935 0.87 HCAR3 (0.41) MAPK1LMNAL3MBTL1KDM4EKMT2A
SCHEMBL7412611 0.87 HCAR3 (0.41) MAPK1LMNAL3MBTL1KDM4EKMT2A
SCHEMBL7416176 0.83 BCL2 (0.43) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL4440995 0.83 BCL2 (0.43) MAPK1LMNAKDM4EMEN1KMT2A
SCHEMBL7413629 0.78 NPC1 (0.43) MAPK1LMNAL3MBTL1NPY1RMC4R
SCHEMBL4449996 0.74 ALOX15 (0.38) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL7413823 0.74 ALOX15 (0.38) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL13099959 0.74 HPGD (0.43) MAPK1LMNAMEN1KMT2AHPGD
SCHEMBL7979459 0.73 HCAR3 (0.47) MAPK1LMNAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed