SCHEMBL8079882

SCHEMBL8079882

CC[C@H](C)C(COC(Cc1ccccc1)C(=O)N[C@H]1CCOC1=O)NC[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SCN9A Q15858 5/20 0.38
REN P00797 8/20 0.37
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
TACR2 P21452 1/20 0.36
MC5R P33032 1/20 0.36
DRD3 P35462 1/20 0.36
MC3R P41968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5891423 1.00 FNTA (0.39) FNTAFNTBSCN9ARENEGFR
SCHEMBL8075650 0.93 CTRB1 (0.34) FNTAFNTBSCN9AREN
SCHEMBL8075177 0.91 KDM4E (0.34) SCN9ARENALDH1A1
SCHEMBL8073871 0.89 EGFR (0.43) FNTAFNTBSCN9ARENEGFR
SCHEMBL8075466 0.89 SCN9A (0.33) SCN9ARENALDH1A1
SCHEMBL8961398 0.86 SCN9A (0.45) SCN9ARENKMT2A
SCHEMBL5891488 0.86 SCN9A (0.43) SCN9ARENKMT2AATM
SCHEMBL8065509 0.86 KMT2A (0.33) SCN9ARENKMT2AATM
SCHEMBL8065171 0.84 SYK (0.35) SCN9ARENKMT2AATM
SCHEMBL8065165 0.82 KMT2A (0.32) SCN9ARENKMT2AATM

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-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed