SCHEMBL7435932

SCHEMBL7435932

COC(=O)C(c1ccc(OCc2ccccc2)cc1)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
CHRM4 P08173 2/20 0.44
NPY2R P49146 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
F7 P08709 1/20 0.44
ACACB O00763 1/20 0.44
FFAR1 O14842 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7442245 0.91 KDM4E (0.44) ITGB3ITGA2BALOX15KDM4EMAPT
SCHEMBL7442249 0.91 KDM4E (0.44) ITGB3ITGA2BALOX15KDM4EMAPT
SCHEMBL7434995 0.89 ITGB3 (0.57) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7444145 0.87 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7446324 0.87 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7435464 0.86 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7444729 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4ECHRM4
Trifluoroacetic Acid SCHEMBL7447945 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7449578 0.84 ITGB3 (0.51) ITGB3ITGA2BALOX15KDM4ECHRM4
SCHEMBL7449068 0.83 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4ECHRM4

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