SCHEMBL7473955

SCHEMBL7473955

Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5ccc(-c6ccccc6)cc5)CC4)OC3=O)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.53
SIGMAR1 Q99720 4/20 0.45
DGAT1 O75907 2/20 0.45
HDAC4 P56524 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
SLC6A7 Q99884 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
SCHEMBL7389702 0.91 MGLL (0.47) MGLLSIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL5530617 0.89 SIGMAR1 (0.45) MGLLSIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL7384950 0.88 FABP6 (0.46) MGLLSIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL7387996 0.87 SIGMAR1 (0.49) MGLLSIGMAR1HDAC4ITGB3ITGA2B
SCHEMBL7477320 0.87 MGLL (0.47) MGLLSIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL7393385 0.87 SIGMAR1 (0.48) SIGMAR1DGAT1
SCHEMBL7388176 0.86 SIGMAR1 (0.51) MGLLSIGMAR1KMT2AMEN1
SCHEMBL7387185 0.85 TSHR (0.50) SIGMAR1
SCHEMBL7388548 0.85 MAPT (0.45) SIGMAR1POLB
SCHEMBL7386854 0.84 DGAT1 (0.42) SIGMAR1DGAT1ITGB3ITGA2B

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