SCHEMBL7285264

SCHEMBL7285264

CC(C)(C)OC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
MMP2 P08253 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP3 P08254 6/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
BRD4 O60885 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
DPP4 P27487 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8884076 0.99 ITGB3 (0.52) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7275877 0.90 ITGB3 (0.46) ITGB3ITGA2BBRD4GPR119DPP4
SCHEMBL7285015 0.89 ITGB3 (0.49) ITGB3ITGA2BBRD4GPR119DPP4
SCHEMBL7283463 0.89 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2ABRD4
SCHEMBL7276433 0.89 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7283083 0.89 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7282562 0.89 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7323680 0.87 ITGB3 (0.47) ITGB3ITGA2BGPR119
SCHEMBL7318086 0.87 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7277677 0.86 ITGB3 (0.46) ITGB3ITGA2BBRD4GPR119ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
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-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP 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