SCHEMBL9870937

SCHEMBL9870937

COC(=O)c1c(-c2ccc(F)cc2)cc(C(C)C)nc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.60
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 2/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IKBKB O14920 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL8880943 0.85 GCGR (0.45) GCGRDHODHSCN9A
SCHEMBL6565362 0.80 GCGR (0.79) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL5102048 0.76 GCGR (0.70) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL9870958 0.75 GCGR (0.72) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL30716573 0.75 GCGR (0.58) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL1751791 0.75 GCGR (0.58) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL14282780 0.75 GCGR (0.58) GCGRSLC6A4SLC6A3LMNADHODH
SCHEMBL8949830 0.75 GCGR (0.45) GCGR
SCHEMBL2647513 0.75 GCGR (1.00) GCGR
SCHEMBL9271574 0.75 PRKCZ (0.50) GCGRNPC1RAB9AKDM4EALDH1A1

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
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed