SCHEMBL7444739

SCHEMBL7444739

COC(=O)C(c1ccc2ccccc2c1)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPY2R P49146 2/20 0.40
MCHR1 Q99705 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SLC6A3 Q01959 2/20 0.38
CHRM4 P08173 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7444728 1.00 KDM4E (0.42) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7444729 0.91 ITGB3 (0.49) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7436257 0.88 NPY2R (0.49) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7436252 0.88 NPY2R (0.49) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7441958 0.88 KDM4E (0.48) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7441963 0.88 KDM4E (0.48) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7439095 0.86 ITGB3 (0.41) KDM4EALDH1A1TDP1NPY2RITGB3
SCHEMBL7439098 0.86 ITGB3 (0.41) KDM4EALDH1A1TDP1NPY2RITGB3
SCHEMBL7439832 0.85 KDM4E (0.43) KDM4EALDH1A1L3MBTL1TDP1NPY2R
SCHEMBL7442245 0.85 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TDP1NPY2R

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