SCHEMBL8774554

SCHEMBL8774554

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
IDH1 O75874 1/20 0.30
CHRNB2 P17787 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
SCHEMBL8774559 1.00 PDGFRB (0.37) PDGFRBPDGFRAMEN1KMT2ACYP3A4
SCHEMBL8775198 0.96 PDGFRB (0.35) PDGFRBPDGFRAMEN1KMT2ACYP3A4
SCHEMBL8775184 0.96 PDGFRB (0.35) PDGFRBPDGFRAMEN1KMT2ACYP3A4
SCHEMBL8775179 0.96 PDGFRB (0.35) PDGFRBPDGFRAMEN1KMT2ACYP3A4
SCHEMBL8775190 0.96 PDGFRB (0.35) PDGFRBPDGFRAMEN1KMT2ACYP3A4
SCHEMBL8774893 0.96 PDGFRB (0.38) PDGFRBPDGFRAMEN1KMT2ACYP2D6
SCHEMBL8774902 0.96 PDGFRB (0.38) PDGFRBPDGFRAMEN1KMT2ACYP2D6
SCHEMBL8774025 0.92 PDGFRB (0.36) PDGFRBPDGFRAMEN1KMT2ACYP2D6
SCHEMBL8774037 0.92 PDGFRB (0.36) PDGFRBPDGFRAMEN1KMT2ACYP2D6
SCHEMBL8774029 0.92 PDGFRB (0.36) PDGFRBPDGFRAMEN1KMT2ACYP2D6

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