SCHEMBL7273994

SCHEMBL7273994

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2Br)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
IRAK4 Q9NWZ3 7/20 0.38
EGLN1 Q9GZT9 1/20 0.37
MMP3 P08254 5/20 0.36
MMP2 P08253 4/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
DPP4 P27487 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL8863881 1.00 ITGB3 (0.43) ITGB3ITGA2BIRAK4EGLN1MMP3
SCHEMBL7276433 0.86 ITGB3 (0.56) ITGB3ITGA2BIRAK4EGLN1MMP3
SCHEMBL7282562 0.86 ITGB3 (0.56) ITGB3ITGA2BIRAK4EGLN1MMP3
SCHEMBL7283083 0.86 ITGB3 (0.56) ITGB3ITGA2BIRAK4EGLN1MMP3
Hydrochloric Acid SCHEMBL7272734 0.85 ITGB3 (0.58) ITGB3ITGA2BIRAK4
SCHEMBL7277350 0.77 ITGB3 (0.48) ITGB3ITGA2BIRAK4EGLN1MMP3
SCHEMBL7285264 0.76 ITGB3 (0.53) ITGB3ITGA2BMMP3MMP2MMP1
SCHEMBL8884076 0.75 ITGB3 (0.52) ITGB3ITGA2BMMP3MMP2MMP1
SCHEMBL7284962 0.75 ITGB3 (0.74) ITGB3ITGA2BIRAK4
SCHEMBL7284201 0.75 ITGB3 (0.71) ITGB3ITGA2BMMP3MMP2MMP1

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 4 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed