SCHEMBL7436252

SCHEMBL7436252

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.49
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 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
SCHEMBL7436257 1.00 NPY2R (0.49) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7444145 0.90 ITGB3 (0.53) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7439098 0.89 ITGB3 (0.41) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7441963 0.89 KDM4E (0.48) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7441958 0.89 KDM4E (0.48) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7439095 0.89 ITGB3 (0.41) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7444739 0.88 KDM4E (0.42) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7444728 0.88 KDM4E (0.42) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7442245 0.88 KDM4E (0.44) NPY2RKDM4EALDH1A1TDP1ITGB3
SCHEMBL7442249 0.88 KDM4E (0.44) NPY2RKDM4EALDH1A1TDP1ITGB3

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