SCHEMBL7336889

SCHEMBL7336889

CC(C)(C)OC(=O)NC1Cc2ccc(CC(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 2/20 0.33
KCNA3 P22001 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
SCN9A Q15858 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H2 P55055 1/20 0.32
GLS O94925 1/20 0.32
FAAH O00519 1/20 0.32
DRD2 P14416 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7274241 0.91 SIGMAR1 (0.39) SIGMAR1MTNR1AITGB3ITGA2BGLS
SCHEMBL7272740 0.91 SIGMAR1 (0.37) SIGMAR1KMT2AL3MBTL1MTNR1AKCNA3
SCHEMBL7271758 0.89 SIGMAR1 (0.38) SIGMAR1KMT2AL3MBTL1MTNR1AITGB3
SCHEMBL7284272 0.87 ITGB3 (0.37) SIGMAR1MTNR1AITGB3ITGA2B
SCHEMBL7274430 0.85 MTNR1A (0.35) KMT2AMTNR1AITGB3ITGA2B
SCHEMBL7276603 0.84 TBXA2R (0.35) KMT2AMTNR1AITGB3ITGA2B
SCHEMBL7282801 0.84 KMT2A (0.37) SIGMAR1KMT2AL3MBTL1MTNR1AITGB3
SCHEMBL8881851 0.82 SIGMAR1 (0.38) SIGMAR1MTNR1AGLSDRD2
SCHEMBL7283478 0.81 SIGMAR1 (0.54) SIGMAR1
SCHEMBL7284620 0.80 SIGMAR1 (0.43) SIGMAR1KMT2ANR1H2GLSDRD2

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed