SCHEMBL7444729

SCHEMBL7444729

COC(=O)C(c1ccc2ccccc2c1)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPY2R P49146 2/20 0.41
MCHR1 Q99705 1/20 0.41
SLC6A3 Q01959 2/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL7444739 0.91 KDM4E (0.42) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7444728 0.91 KDM4E (0.42) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7440621 0.89 ITGB3 (0.55) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7434995 0.89 ITGB3 (0.57) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7444145 0.87 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7446324 0.87 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7435464 0.86 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7439832 0.86 KDM4E (0.43) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7449068 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7441246 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1

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