SCHEMBL7864472

SCHEMBL7864472

CSCC[C@@](NC(=O)c1cc(C(OCCn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1)(C(=O)O)C(C)(C)CN1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 7/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SLC6A2 P23975 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 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
SCHEMBL8194789 0.84 FNTA (0.39) SLC6A3SLC6A4FNTAFNTBMEN1
SCHEMBL7609223 0.78 FNTA (0.52) FNTAFNTBALDH1A1NPSR1
SCHEMBL7570978 0.75 CYP19A1 (0.45) SLC6A3SLC6A4MEN1KMT2ASLC6A2
SCHEMBL7561794 0.73 FNTA (0.40) SLC6A3SLC6A4FNTAFNTBKMT2A
SCHEMBL7561963 0.73 FNTA (0.54) FNTAFNTB
SCHEMBL7612446 0.72 FNTA (0.53) FNTAFNTBALDH1A1NPSR1
SCHEMBL7662201 0.71 FNTA (0.35) FNTAFNTBLMNAMAPK1CYP19A1
SCHEMBL7864465 0.71 FNTA (0.39) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL7564058 0.71 CYP19A1 (0.45) SLC6A3SLC6A4MEN1KMT2ASLC6A2
SCHEMBL7864468 0.69 PTGS2 (0.37) FNTAFNTBMEN1KMT2AALDH1A1

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-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP claimed