SCHEMBL9245772

SCHEMBL9245772

CC=C[C@H]1CC[C@H](C#Cc2cnc(-c3ccc(F)c(F)c3)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA2 Q15822 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
OPRL1 P41146 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL9245762 1.00 PDGFRB (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4
SCHEMBL9245757 1.00 PDGFRB (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4
SCHEMBL9245767 1.00 PDGFRB (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4
SCHEMBL9249549 0.90 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9249573 0.90 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9249568 0.90 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9249562 0.90 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9247692 0.88 CHRNB2 (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4
SCHEMBL9247696 0.88 CHRNB2 (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4
SCHEMBL9247682 0.88 CHRNB2 (0.32) PDGFRBPDGFRACHRNB2CHRNA2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed