SCHEMBL7440112

SCHEMBL7440112

CC(C)(C)OC(=O)C(N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1)C(C)(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 6/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
CHRM4 P08173 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
CCR5 P51681 1/20 0.36
DPP4 P27487 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL7436177 0.85 ITGB3 (0.51) KDM4ECYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL7548362 0.81 KDM4E (0.41) ESR1KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL7431827 0.78 KMT2A (0.40) ESR1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL7440133 0.77 ESR1 (0.39) ESR1MEN1KMT2AGPR119CCR5
SCHEMBL7435316 0.77 GPR119 (0.57) ALDH1A1GPR119MAPTEGLN2IRAK4
SCHEMBL7444913 0.76 ESR1 (0.46) ESR1KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL7435244 0.76 NPY2R (0.52) KDM4ECYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL7344717 0.74 ITGB3 (0.47) MEN1KMT2AGPR119POLBCHRM4
SCHEMBL9313761 0.73 ESR1 (0.36) ESR1KDM4ECYP2C9CYP2C19MEN1
SCHEMBL7337863 0.72 KDM4E (0.46) KDM4ECYP2C9CYP2C19ALDH1A1KMT2A

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