SCHEMBL9540834

SCHEMBL9540834

Fc1cc(CCC2CCC(/C=C/Cl)CC2)ccc1Br.Fc1cc(CCC2CCC(/C=C/Cl)CC2)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
KCNH2 Q12809 1/20 0.30
FPR2 P25090 2/20 0.30
PROKR1 Q8TCW9 2/20 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
SCHEMBL9450833 0.97 CNR1 (0.32) GRM2
SCHEMBL8963255 0.94 EP300 (0.32) KCNH2
SCHEMBL8963262 0.94 EP300 (0.32) KCNH2
SCHEMBL8963053 0.93 KCNH2 (0.33) KCNH2FPR2PROKR1
SCHEMBL8963047 0.93 KCNH2 (0.33) KCNH2FPR2PROKR1
SCHEMBL8963287 0.89 PROKR1 (0.33) KCNH2FPR2PROKR1
SCHEMBL8963292 0.89 PROKR1 (0.33) KCNH2FPR2PROKR1
SCHEMBL8962798 0.82 CNR1 (0.36)
SCHEMBL8962799 0.82 CNR1 (0.36)
SCHEMBL9265783 0.79 PROKR1 (0.35) KCNH2FPR2PROKR1

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
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed