SCHEMBL8933302

SCHEMBL8933302

NC(=O)c1nnc([C@@H](CNC(=O)O)Cc2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
MMP2 P08253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TACR1 P25103 1/20 0.36
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
EPHX1 P07099 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35
C3AR1 Q16581 1/20 0.35

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
SCHEMBL8933305 0.80 SMN1; SMN2 (0.48) MTNR1AMTNR1BALDH1A1KDM4ETACR1
SCHEMBL6601868 0.77 TACR1 (0.45) ALDH1A1KDM4ETACR1ATMCYP2D6
SCHEMBL8933307 0.72 HPGD (0.38) ALDH1A1KDM4ETACR1ATMEPHX1
SCHEMBL218878 0.67 MMP2 (0.73) MMP2EPHX1
SCHEMBL2876751 0.67 MMP2 (0.73) MMP2EPHX1
SCHEMBL218877 0.67 MMP2 (0.73) MMP2EPHX1
SCHEMBL6600320 0.67 ALDH1A1 (0.42) ALDH1A1ATMTSHRHTTMEN1
Hydrochloric Acid SCHEMBL23051768 0.66 MMP2 (0.71) MMP2EPHX1
Hydrochloric Acid SCHEMBL23051769 0.66 MMP2 (0.71) MMP2EPHX1
SCHEMBL2636331 0.65 TRPA1 (0.50) MTNR1AMTNR1BMMP2NPC1CYP1A2

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