SCHEMBL8933305

SCHEMBL8933305

NC(=O)OC[C@@H](Cc1ccccc1)c1nnc(C(N)=O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
PKM P14618 2/20 0.48
CYP2D6 P10635 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TACR1 P25103 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
SRR Q9GZT4 2/20 0.35
EPHX1 P07099 1/20 0.35
ALPI P09923 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MIF P14174 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8933302 0.80 MTNR1A (0.43) CYP1A2CYP2D6TACR1ATMKDM4E
SCHEMBL6601868 0.74 TACR1 (0.45) SMN1; SMN2PKMCYP2D6NPSR1TACR1
SCHEMBL8933307 0.72 HPGD (0.38) SMN1; SMN2PKMCYP2D6TACR1ATM
SCHEMBL29188177 0.72 CYP1A2 (0.50) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
SCHEMBL1805602 0.69 CYP1A2 (0.54) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
SCHEMBL375857 0.69 CYP1A2 (0.56) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
Solriamfetol SCHEMBL42525 0.69 PKM (0.56) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
Solriamfetol SCHEMBL30929348 0.69 PKM (0.56) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
SCHEMBL16476537 0.69 CYP1A2 (0.56) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
Solriamfetol SCHEMBL30929349 0.69 PKM (0.56) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1

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
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed