SCHEMBL7388176

SCHEMBL7388176

Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)OC3=O)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.51
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MGLL Q99685 1/20 0.43
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42

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 0.87 MGLL (0.47) SIGMAR1TSHRALDH1A1LMNAMGLL
SCHEMBL7473955 0.86 MGLL (0.53) SIGMAR1KMT2AMGLLMEN1
SCHEMBL5530617 0.84 SIGMAR1 (0.45) SIGMAR1MGLL
SCHEMBL7384950 0.83 FABP6 (0.46) SIGMAR1ALDH1A1MGLL
SCHEMBL7387996 0.82 SIGMAR1 (0.49) SIGMAR1MGLL
SCHEMBL7385750 0.82 SIGMAR1 (0.54) SIGMAR1KMT2ATSHRALDH1A1LMNA
SCHEMBL7074800 0.81 ALDH1A1 (0.60) KMT2ATSHRALDH1A1LMNAMGLL
SCHEMBL7386854 0.80 DGAT1 (0.42) SIGMAR1LMNA
SCHEMBL7477320 0.80 MGLL (0.47) SIGMAR1KMT2ATSHRALDH1A1LMNA
SCHEMBL7386012 0.79 LMNA (0.44) SIGMAR1KMT2ALMNA

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