SCHEMBL7439370

SCHEMBL7439370

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
ALOX15 P16050 1/20 0.49
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.42
TEAD1 P28347 4/20 0.41
NPY2R P49146 3/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
CCR3 P51677 3/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7431838 0.90 LDHA (0.42) ITGB3ITGA2BALOX15LDHALDHB
SCHEMBL7431844 0.90 LDHA (0.42) ITGB3ITGA2BALOX15LDHALDHB
SCHEMBL7449068 0.90 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7435464 0.89 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7489686 0.89 ITGB3 (0.56) ITGB3ITGA2BALOX15MMP2MMP13
Trifluoroacetic Acid SCHEMBL7447945 0.88 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7446324 0.88 ITGB3 (0.53) ITGB3ITGA2BALOX15MMP2MMP13
SCHEMBL7441246 0.88 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7434995 0.88 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7443152 0.86 NPY2R (0.50) 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