SCHEMBL8075466

SCHEMBL8075466

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
ADORA1 P30542 1/20 0.32
REN P00797 8/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CXCR3 P49682 1/20 0.31

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
SCHEMBL8075177 0.94 KDM4E (0.34) SCN9AADORA1RENKDM4EALDH1A1
SCHEMBL8075650 0.90 CTRB1 (0.34) SCN9AADORA1REN
SCHEMBL5891423 0.89 FNTA (0.39) SCN9ARENALDH1A1
SCHEMBL8079882 0.89 FNTA (0.39) SCN9ARENALDH1A1
SCHEMBL8065076 0.86 KDM4E (0.38) SCN9ARENKDM4EALDH1A1HPGD
SCHEMBL8065509 0.84 KMT2A (0.33) SCN9AADORA1REN
SCHEMBL8065171 0.82 SYK (0.35) SCN9AADORA1REN
SCHEMBL8961398 0.81 SCN9A (0.45) SCN9AREN
SCHEMBL8065165 0.80 KMT2A (0.32) SCN9AADORA1REN
SCHEMBL8073871 0.78 EGFR (0.43) SCN9ARENALDH1A1

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 3 patents. 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
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed