SCHEMBL7477320

SCHEMBL7477320

Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5cccc6ccccc56)CC4)OC3=O)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DGAT1 O75907 3/20 0.43
SIGMAR1 Q99720 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
GRIN2B Q13224 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL7473955 0.87 MGLL (0.53) MGLLMEN1KMT2ADGAT1SIGMAR1
SCHEMBL7390914 0.87 DGAT1 (0.55) MGLLKMT2ADGAT1ALDH1A1KDM4E
SCHEMBL7389702 0.86 MGLL (0.47) MGLLDGAT1SIGMAR1ALDH1A1TSHR
SCHEMBL5530617 0.85 SIGMAR1 (0.45) MGLLDGAT1SIGMAR1ITGB3ITGA2B
SCHEMBL7388878 0.84 MAPT (0.46) MGLLMEN1KMT2ADGAT1SIGMAR1
SCHEMBL7384950 0.84 FABP6 (0.46) MGLLDGAT1SIGMAR1ALDH1A1KDM4E
SCHEMBL7384777 0.82 MEN1 (0.46) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL27541033 0.82 MEN1 (0.43) MGLLMEN1KMT2ADGAT1ALDH1A1
SCHEMBL7393385 0.82 SIGMAR1 (0.48) DGAT1SIGMAR1ALDH1A1TSHRLMNA
SCHEMBL7386854 0.81 DGAT1 (0.42) DGAT1SIGMAR1TP53LMNAITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed