SCHEMBL7445145

SCHEMBL7445145

CCOC(=O)C(c1ccc(NC(C)=O)cc1)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GFER P55789 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL7440788 0.89 HPGD (0.39) NPY2RITGB3ITGA2BALOX15MEN1
SCHEMBL7440797 0.89 HPGD (0.39) NPY2RITGB3ITGA2BALOX15MEN1
SCHEMBL7440411 0.86 PANK3 (0.47) NPY2RALDH1A1KDM4ESMN1; SMN2CYP2C19
SCHEMBL7441958 0.81 KDM4E (0.48) NPY2RALDH1A1KDM4ESMN1; SMN2ITGB3
SCHEMBL7439098 0.81 ITGB3 (0.41) NPY2RALDH1A1KDM4ESMN1; SMN2ITGB3
SCHEMBL7439095 0.81 ITGB3 (0.41) NPY2RALDH1A1KDM4ESMN1; SMN2ITGB3
SCHEMBL7441963 0.81 KDM4E (0.48) NPY2RALDH1A1KDM4ESMN1; SMN2ITGB3
SCHEMBL7436252 0.80 NPY2R (0.49) NPY2RALDH1A1KDM4EITGB3ITGA2B
SCHEMBL7436257 0.80 NPY2R (0.49) NPY2RALDH1A1KDM4EITGB3ITGA2B
SCHEMBL7435901 0.79 KDM4E (0.42) ALDH1A1KDM4EITGB3ITGA2BALOX15

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