SCHEMBL7440411

SCHEMBL7440411

CCOC(=O)C(c1ccc(NC(C)=O)cc1)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.47
NPY2R P49146 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EP300 Q09472 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
DRD2 P14416 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
SCHEMBL7449492 0.88 PANK3 (0.42) PANK3NPY2RALDH1A1MAPTMEN1
SCHEMBL7445145 0.86 NPY2R (0.42) PANK3NPY2RALDH1A1KDM4ESMN1; SMN2
SCHEMBL7337863 0.80 KDM4E (0.46) PANK3ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL7442787 0.80 KDM4E (0.48) PANK3NPY2RKDM4E
SCHEMBL7440141 0.80 CHRM2 (0.46) PANK3NPY2RALDH1A1KDM4EMAPT
SCHEMBL7444975 0.80 PANK3 (0.42) PANK3NPY2RALDH1A1KDM4EMEN1
SCHEMBL7435244 0.80 NPY2R (0.52) PANK3NPY2RALDH1A1KDM4EMEN1
SCHEMBL7444850 0.79 NPY2R (0.42) PANK3NPY2RALDH1A1KDM4EMEN1
SCHEMBL7449584 0.78 LDHA (0.44) PANK3NPY2RCYP3A4
SCHEMBL7432834 0.77 NPY2R (0.50) PANK3NPY2RHRH3

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