SCHEMBL4728198

SCHEMBL4728198

CCOC(=O)CCNC(=O)c1ccc2c(c1)c1ccccc1n2C(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.58
CNR2 P34972 3/20 0.48
NPY5R Q15761 4/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PTGER4 P35408 2/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4728750 0.87 NPY5R (0.62) RORCCNR2NPY5RKDM4EALDH1A1
SCHEMBL4726977 0.85 RORC (0.66) RORCCNR2NPY5RKDM4EALDH1A1
SCHEMBL4727066 0.81 NPY5R (0.60) RORCCNR2NPY5RKDM4EPTGER4
SCHEMBL4728742 0.81 PTGER4 (0.62) RORCCNR2NPY5RKDM4EALDH1A1
SCHEMBL4728865 0.74 ATM (0.55) RORCKDM4EALDH1A1GAAPTGER4
SCHEMBL27439930 0.73 PRSS1 (0.71) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4728500 0.73 NPY5R (0.67) RORCCNR2NPY5RKDM4EALDH1A1
SCHEMBL4726929 0.72 KDM4E (0.69) RORCCNR2NPY5RKDM4EALDH1A1
SCHEMBL4727525 0.72 MEN1 (0.55) RORCNPY5RKDM4EALDH1A1PTGER4
SCHEMBL29643278 0.72 MEN1 (0.55) RORCNPY5RKDM4EALDH1A1PTGER4

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed