SCHEMBL7435197

SCHEMBL7435197

COC(=O)C(c1ccccc1OC)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 2/20 0.39
C5AR1 P21730 1/20 0.38
NPY2R P49146 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7435192 1.00 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7441454 0.90 ITGB3 (0.52) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7436257 0.85 NPY2R (0.49) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7436252 0.85 NPY2R (0.49) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7441958 0.85 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7441963 0.85 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7439098 0.85 ITGB3 (0.41) KDM4EALDH1A1TDP1ITGB3ITGA2B
SCHEMBL7439095 0.85 ITGB3 (0.41) KDM4EALDH1A1TDP1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7437183 0.84 ITGB3 (0.48) KDM4EALDH1A1TDP1L3MBTL1ITGB3
SCHEMBL7444330 0.84 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1HTT

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