SCHEMBL7442249

SCHEMBL7442249

COC(=O)C(c1ccc(OCc2ccccc2)cc1)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
CHRM4 P08173 2/20 0.42
NPY2R P49146 2/20 0.42
ACACB O00763 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
FFAR1 O14842 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL7442245 1.00 KDM4E (0.44) KDM4EMAPTCHRM4NPY2RACACB
SCHEMBL7435932 0.91 ITGB3 (0.50) KDM4EMAPTCHRM4NPY2RACACB
SCHEMBL7436257 0.88 NPY2R (0.49) KDM4ECHRM4NPY2RTDP1ITGB3
SCHEMBL7436252 0.88 NPY2R (0.49) KDM4ECHRM4NPY2RTDP1ITGB3
SCHEMBL7441963 0.88 KDM4E (0.48) KDM4EMAPTCHRM4NPY2RTDP1
SCHEMBL7441958 0.88 KDM4E (0.48) KDM4EMAPTCHRM4NPY2RTDP1
SCHEMBL7444739 0.85 KDM4E (0.42) KDM4ECHRM4NPY2RTDP1ITGB3
SCHEMBL7444728 0.85 KDM4E (0.42) KDM4ECHRM4NPY2RTDP1ITGB3
SCHEMBL7439098 0.84 ITGB3 (0.41) KDM4EMAPTCHRM4NPY2RTDP1
SCHEMBL7439095 0.84 ITGB3 (0.41) KDM4EMAPTCHRM4NPY2RTDP1

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