SCHEMBL7444145

SCHEMBL7444145

COC(=O)C(c1ccc(-c2ccccc2)cc1)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
ALOX15 P16050 1/20 0.52
NPY2R P49146 4/20 0.51
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM4 P08173 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
ST14 Q9Y5Y6 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
SCHEMBL7434995 0.94 ITGB3 (0.57) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7449578 0.93 ITGB3 (0.51) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7443152 0.91 NPY2R (0.50) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7436257 0.90 NPY2R (0.49) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7436252 0.90 NPY2R (0.49) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7435464 0.90 ITGB3 (0.53) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7437155 0.89 ITGB3 (0.58) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7447945 0.89 ITGB3 (0.52) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7441246 0.89 ITGB3 (0.53) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7446324 0.89 ITGB3 (0.53) ITGB3ITGA2BALOX15NPY2RKDM4E

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