SCHEMBL9314052

SCHEMBL9314052

C[Si](C)(C)N[Si](C)(C)C.N#Cc1ccc(N2CCN(C3CCN(C(Cc4ccccc4)C(=O)O)CC3)CC2)cc1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.42
CALCA P06881 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 2/20 0.41
PRKAA2 P54646 1/20 0.41
PPARA Q07869 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
CXCR3 P49682 1/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CXCR4 P61073 1/20 0.39
EP300 Q09472 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 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
SCHEMBL7443501 0.92 LMNA (0.46) CHRM4KDM4ECYP2C9CYP2C19PRKAA2
SCHEMBL7435280 0.76 ITGB3 (0.61) KDM4ECYP2C9CYP2C19LMNAALDH1A1
SCHEMBL7435155 0.75 CTSS (0.42) CALCAKDM4ECYP2C9CYP2C19CCR5
SCHEMBL7435244 0.73 NPY2R (0.52) CHRM4KDM4ECYP2C9CYP2C19LMNA
SCHEMBL7443280 0.73 MAOB (0.45) CHRM4KDM4ECYP2C9CYP2C19HRH1
Trifluoroacetic Acid SCHEMBL7443965 0.72 ITGB3 (0.56) KDM4ECYP2C9CYP2C19LMNAALDH1A1
SCHEMBL7337863 0.70 KDM4E (0.46) CALCAKDM4ECYP2C9CYP2C19LMNA
SCHEMBL7444330 0.69 KDM4E (0.48) KDM4ECYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL7439832 0.69 KDM4E (0.43) CHRM4KDM4EALDH1A1L3MBTL1
SCHEMBL7444913 0.69 ESR1 (0.46) CHRM4CALCAKDM4ECYP2C9CYP2C19

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 1 patent. 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