SCHEMBL7276728

SCHEMBL7276728

COCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.63
TSHR P16473 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
RAB9A P51151 1/20 0.62
TP53 P04637 1/20 0.62
MEN1 O00255 1/20 0.62
CTRB1 P17538 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GFER P55789 1/20 0.61
PREP P48147 2/20 0.61
HSD17B10 Q99714 1/20 0.58
CTSK P43235 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
SCHEMBL10952307 0.88 PRCP (0.68) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL953206 0.87 KMT2A (0.69) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL953204 0.87 KMT2A (0.69) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL10763737 0.87 PRCP (0.82) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL7273208 0.87 PRCP (0.82) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL12234864 0.86 KMT2A (0.65) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL10954962 0.86 PRCP (0.75) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL9564578 0.86 KMT2A (0.67) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL10369207 0.86 KMT2A (0.70) PRCPNPSR1KMT2AALDH1A1TSHR
SCHEMBL9564581 0.86 KMT2A (0.67) PRCPNPSR1KMT2AALDH1A1TSHR

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-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed