SCHEMBL8774893

SCHEMBL8774893

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP1A2 P05177 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 4/20 0.32
MAPK1 P28482 3/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NOS1 P29475 2/20 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
SCHEMBL8774902 1.00 PDGFRB (0.38) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774025 0.96 PDGFRB (0.36) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774044 0.96 PDGFRB (0.36) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774037 0.96 PDGFRB (0.36) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774029 0.96 PDGFRB (0.36) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774554 0.96 PDGFRB (0.37) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8774559 0.96 PDGFRB (0.37) PDGFRBPDGFRACYP1A2HRH3KMT2A
SCHEMBL8775179 0.92 PDGFRB (0.35) PDGFRBPDGFRAHRH3KMT2AMEN1
SCHEMBL8775190 0.92 PDGFRB (0.35) PDGFRBPDGFRAHRH3KMT2AMEN1
SCHEMBL8775198 0.92 PDGFRB (0.35) PDGFRBPDGFRAHRH3KMT2AMEN1

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