SCHEMBL9246397

SCHEMBL9246397

C/C=C/CC1CCC(C#Cc2cnc(-c3ccc(Cl)c(F)c3)nc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNA2 Q15822 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PDE2A O00408 1/20 0.30
PTGES O14684 2/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL9247689 0.91 CHRNB2 (0.34) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9245211 0.88 PTGES (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9245509 0.86 FFAR1 (0.33)
SCHEMBL9247860 0.85 CHRNB2 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9243069 0.85 CHRNB2 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9249568 0.85 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9249549 0.85 PDGFRB (0.31) PDGFRBPDGFRA
SCHEMBL9248384 0.85 CYP11B1 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9248374 0.85 CYP11B1 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9249562 0.85 PDGFRB (0.31) PDGFRBPDGFRA

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