SCHEMBL7438673

SCHEMBL7438673

CC(c1ccccc1)C(C(=O)OC(C)(C)C)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 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
SCHEMBL7438549 0.91 KDM4E (0.42) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7435911 0.89 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7448252 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7449755 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7436177 0.83 ITGB3 (0.51) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7434995 0.81 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7444687 0.80 ITGB3 (0.50) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7445913 0.80 ITGB3 (0.62) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7447945 0.79 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7337939 0.77 ITGB3 (0.65) ITGB3ITGA2BALOX15MEN1KMT2A

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-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP claimed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO claimed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed