SCHEMBL7444850

SCHEMBL7444850

COC(=O)C(c1ccc(-c2ccc(O)cc2)cc1)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.42
PANK3 Q9H999 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
CHRM4 P08173 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 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
SCHEMBL7432834 0.91 NPY2R (0.50) NPY2RPANK3HRH3KDM2BCHRM4
SCHEMBL7444975 0.89 PANK3 (0.42) NPY2RPANK3CHRM4CTSSCTSK
SCHEMBL7442787 0.89 KDM4E (0.48) NPY2RPANK3CHRM4KDM4ESLC1A2
SCHEMBL7440141 0.89 CHRM2 (0.46) NPY2RPANK3CHRM4CTSSCTSK
SCHEMBL7435244 0.89 NPY2R (0.52) NPY2RPANK3CHRM4ALDH1A1KDM4E
SCHEMBL7449584 0.86 LDHA (0.44) NPY2RPANK3CHRM4
SCHEMBL7449578 0.85 ITGB3 (0.51) NPY2RCHRM4ESR1ESR2ALDH1A1
SCHEMBL7435854 0.84 NPY2R (0.42) NPY2RHRH3CHRM4ESR1ESR2
SCHEMBL7439832 0.84 KDM4E (0.43) NPY2RPANK3CHRM4ALDH1A1KDM4E
SCHEMBL7441631 0.83 PANK3 (0.39) NPY2RPANK3CHRM4CTSSCTSK

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 2 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 disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed