SCHEMBL7548362

SCHEMBL7548362

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
CCR5 P51681 1/20 0.38
DPP4 P27487 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM4 P08173 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 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
SCHEMBL7440112 0.81 ESR1 (0.40) KDM4EALDH1A1L3MBTL1ESR1CYP2C9
SCHEMBL7431827 0.77 KMT2A (0.40) KDM4EL3MBTL1ESR1CYP2C9CYP2C19
SCHEMBL7440133 0.76 ESR1 (0.39) ESR1MEN1KMT2ACCR5DPP4
SCHEMBL7435316 0.76 GPR119 (0.57) ALDH1A1GPR119MAPT
SCHEMBL7444913 0.76 ESR1 (0.46) KDM4EALDH1A1L3MBTL1ESR1CYP2C9
SCHEMBL7435244 0.75 NPY2R (0.52) KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL7344717 0.73 ITGB3 (0.47) MEN1KMT2APOLBDPP4GPR119
SCHEMBL9313761 0.72 ESR1 (0.36) KDM4EESR1CYP2C9CYP2C19MEN1
SCHEMBL7337863 0.71 KDM4E (0.46) KDM4EALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7431832 0.71 KDM4E (0.38) KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19

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