SCHEMBL7468638

SCHEMBL7468638

N#Cc1ccc(Cc2ncc(C(CC(=O)C34CC5CC(CC(C5)C3)C4)N3CCNC(=O)C3)[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.34
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C9 P11712 1/20 0.31
BRS3 P32247 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM1A O60341 1/20 0.31
TYMP P19971 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
SCHEMBL7461872 0.87 TYMP (0.34) DGAT2SCN7AKCNH2FNTAFNTB
SCHEMBL7472579 0.87 TYMP (0.32) DGAT2SCN7AKCNH2FNTAFNTB
SCHEMBL7460798 0.86 DGAT2 (0.32) DGAT2SCN7AKCNH2FNTAFNTB
SCHEMBL7468317 0.84 SCN7A (0.32) DGAT2SCN7AKCNH2FNTAFNTB
SCHEMBL7590277 0.81 FNTA (0.45) KCNH2FNTAFNTBPGGT1B
SCHEMBL6913123 0.73 TRIM24 (0.35) SCN7AKCNH2FNTAFNTBFASN
Hydrochloric Acid SCHEMBL7747644 0.71 FNTA (0.37) DGAT2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7593701 0.69 FNTA (0.43) KCNH2FNTAFNTBPGGT1B
SCHEMBL7657808 0.68 FNTA (0.44) KCNH2FNTAFNTBPGGT1B
SCHEMBL7591019 0.68 FNTA (0.43) KCNH2FNTAFNTBPGGT1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165013-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1165013-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051547-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed