SCHEMBL7323680

SCHEMBL7323680

CC(C)(C)OC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)c(F)c3)cc2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
GPR119 Q8TDV5 2/20 0.42
EGLN2 Q96KS0 6/20 0.41
MIF P14174 1/20 0.36
CTSC P53634 4/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PLA2G7 Q13093 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNJ1 P48048 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL7318086 0.90 ITGB3 (0.47) ITGB3ITGA2BCTSCCYP11B1CYP11B2
SCHEMBL7285264 0.87 ITGB3 (0.53) ITGB3ITGA2BGPR119
SCHEMBL8884076 0.86 ITGB3 (0.52) ITGB3ITGA2BGPR119
SCHEMBL7798146 0.84 ITGB3 (0.57) ITGB3ITGA2BGPR119MIF
SCHEMBL7285015 0.83 ITGB3 (0.49) ITGB3ITGA2BGPR119CTSCTRPA1
SCHEMBL7283463 0.81 ITGB3 (0.49) ITGB3ITGA2BGPR119EGLN2
SCHEMBL7277677 0.80 ITGB3 (0.46) ITGB3ITGA2BGPR119CTSC
SCHEMBL7275877 0.80 ITGB3 (0.46) ITGB3ITGA2BGPR119EGLN2CTSC
SCHEMBL7277406 0.79 ITGB3 (0.47) ITGB3ITGA2BGPR119
SCHEMBL7286097 0.78 ITGB3 (0.44) ITGB3ITGA2BGPR119

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