SCHEMBL8073871

SCHEMBL8073871

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
TACR2 P21452 1/20 0.43
MC5R P33032 1/20 0.43
DRD3 P35462 1/20 0.43
MC3R P41968 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FNTB P49356 3/20 0.43
FNTA P49354 2/20 0.43
REN P00797 8/20 0.39
SCN9A Q15858 2/20 0.39

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
SCHEMBL5891488 0.90 SCN9A (0.43) RENSCN9AATMKMT2A
SCHEMBL5891423 0.89 FNTA (0.39) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL8079882 0.89 FNTA (0.39) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL5891478 0.86 EGFR (0.55) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL9182362 0.86 EGFR (0.55) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL8075650 0.82 CTRB1 (0.34) FNTBFNTARENSCN9A
SCHEMBL8075177 0.79 KDM4E (0.34) ALDH1A1RENSCN9A
SCHEMBL8812949 0.78 MEN1 (0.43) ALDH1A1FNTBFNTAKMT2A
SCHEMBL8075466 0.78 SCN9A (0.33) ALDH1A1RENSCN9A
Hydrochloric Acid SCHEMBL5891922 0.78 MEN1 (0.43) EGFRFYNCHRM2CYP3A4ADRA2A

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