SCHEMBL8774416

SCHEMBL8774416

CCC[C@H]1CC[C@H](CCc2cnc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FYN P06241 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8774426 1.00 PDGFRB (0.39) PDGFRBPDGFRAMAOAMAOBHRH3
SCHEMBL8774443 0.96 PDGFRB (0.37) PDGFRBPDGFRA
SCHEMBL8774462 0.96 PDGFRB (0.37) PDGFRBPDGFRA
SCHEMBL8774452 0.96 PDGFRB (0.37) PDGFRBPDGFRA
SCHEMBL8774436 0.96 PDGFRB (0.37) PDGFRBPDGFRA
SCHEMBL8774902 0.91 PDGFRB (0.38) PDGFRBPDGFRAMAOAMAOBHRH3
SCHEMBL8774893 0.91 PDGFRB (0.38) PDGFRBPDGFRAMAOAMAOBHRH3
SCHEMBL8774315 0.91 PDGFRB (0.39) PDGFRBPDGFRAMAOAMAOB
SCHEMBL8774325 0.91 PDGFRB (0.39) PDGFRBPDGFRAMAOAMAOB
SCHEMBL8774554 0.90 PDGFRB (0.37) PDGFRBPDGFRAHRH3PKMCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed