SCHEMBL9564578

SCHEMBL9564578

[CH2]CNC(=O)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
TSHR P16473 3/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
RAB9A P51151 1/20 0.64
CTRB1 P17538 1/20 0.64
HSD17B10 Q99714 1/20 0.63
PRCP P42785 1/20 0.63
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GFER P55789 1/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
TP53 P04637 1/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL9564581 1.00 KMT2A (0.67) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL953204 0.89 KMT2A (0.69) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL953206 0.89 KMT2A (0.69) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL10952307 0.88 PRCP (0.68) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL10369207 0.88 KMT2A (0.70) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL11315897 0.88 KMT2A (0.70) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL7265578 0.87 TSHR (0.68) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL7265572 0.87 TSHR (0.68) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL12234864 0.86 KMT2A (0.65) KMT2ATSHRCYP3A4MAPTCYP2C9
SCHEMBL10954962 0.86 PRCP (0.75) KMT2ATSHRCYP3A4MAPTCYP2C9

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-0541497-A1 Prolineamide derivatives as enhancers of learning processes and memory and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1993-05-12 EP claimed