SCHEMBL7435155

SCHEMBL7435155

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PANK3 Q9H999 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.40
KMT2A Q03164 2/20 0.40
CALCA P06881 1/20 0.39
CCR5 P51681 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL7443498 0.82 ITGB3 (0.58) HRH3KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL7435244 0.82 NPY2R (0.52) PANK3KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL7444975 0.80 PANK3 (0.42) CTSSCTSKPANK3KDM4EALDH1A1
SCHEMBL7440141 0.80 CHRM2 (0.46) CTSSCTSKPANK3KDM4EALDH1A1
SCHEMBL7442787 0.80 KDM4E (0.48) PANK3KDM4ETP53
SCHEMBL7337863 0.80 KDM4E (0.46) CTSSCTSKHRH3PANK3KDM4E
SCHEMBL7444330 0.79 KDM4E (0.48) KDM4ECYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL7444850 0.79 NPY2R (0.42) CTSSCTSKHRH3PANK3KDM4E
SCHEMBL7442319 0.79 KDM4E (0.42) CTSSCTSKPANK3KDM4ECYP2C9
SCHEMBL7441631 0.79 PANK3 (0.39) CTSSCTSKPANK3KDM4ECYP2C9

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