SCHEMBL7286536

SCHEMBL7286536

CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 4/20 0.43
NAMPT P43490 9/20 0.42
CHRM4 P08173 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
NR1H2 P55055 1/20 0.38
ITGAV P06756 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7285724 0.94 ITGB3 (0.41) ITGB3ITGA2BNAMPTCHRM4SIGMAR1
SCHEMBL7286655 0.94 NAMPT (0.42) ITGB3ITGA2BNAMPTCHRM4SIGMAR1
SCHEMBL7277905 0.93 KDM4E (0.41) ITGB3ITGA2BNAMPTSIGMAR1KDM4E
SCHEMBL7275338 0.92 ITGB3 (0.40) ITGB3ITGA2BNAMPTCHRM4SIGMAR1
SCHEMBL7286896 0.89 NAMPT (0.39) ITGB3ITGA2BNAMPTCHRM4SIGMAR1
SCHEMBL7285483 0.87 NR1H2 (0.41) ITGB3ITGA2BNAMPTSIGMAR1NR1H2
SCHEMBL7276445 0.87 NAMPT (0.40) NAMPTSIGMAR1PTPN1KDM4EPKM
SCHEMBL7277096 0.86 ITGB3 (0.43) ITGB3ITGA2BNAMPTCHRM4ITGAV
SCHEMBL7274101 0.86 ITGB3 (0.41) ITGB3ITGA2BNAMPTCHRM4SIGMAR1
SCHEMBL7286501 0.85 KDM4E (0.43) ITGB3ITGA2BSIGMAR1NR1H2KDM4E

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-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed