SCHEMBL7439832

SCHEMBL7439832

COC(=O)C(c1ccc2ccccc2c1)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PANK3 Q9H999 1/20 0.42
NPY2R P49146 3/20 0.41
MCHR1 Q99705 2/20 0.41
SLC6A3 Q01959 2/20 0.40
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7435244 0.89 NPY2R (0.52) KDM4EALDH1A1L3MBTL1PANK3NPY2R
SCHEMBL7440141 0.87 CHRM2 (0.46) KDM4EALDH1A1L3MBTL1PANK3NPY2R
SCHEMBL7444729 0.86 ITGB3 (0.49) KDM4EALDH1A1L3MBTL1NPY2RMCHR1
SCHEMBL7444728 0.85 KDM4E (0.42) KDM4EALDH1A1L3MBTL1NPY2RMCHR1
SCHEMBL7444739 0.85 KDM4E (0.42) KDM4EALDH1A1L3MBTL1NPY2RMCHR1
SCHEMBL7444975 0.85 PANK3 (0.42) KDM4EALDH1A1L3MBTL1PANK3NPY2R
SCHEMBL7442787 0.85 KDM4E (0.48) KDM4EPANK3NPY2RCHRM4
SCHEMBL7441230 0.84 KDM4E (0.45) KDM4EALDH1A1L3MBTL1NPY2RMEN1
SCHEMBL7444850 0.84 NPY2R (0.42) KDM4EALDH1A1L3MBTL1PANK3NPY2R
SCHEMBL7449584 0.83 LDHA (0.44) PANK3NPY2RCHRM4

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