SCHEMBL19940835

SCHEMBL19940835

C#CC(c1ccc(Cl)cc1F)C1CCN(Sc2c(C)n[nH]c2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 19/20 0.54
FPR2 P25090 15/20 0.54
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32

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
SCHEMBL19940834 0.80 PROKR1 (0.83) PROKR1FPR2
SCHEMBL19940747 0.75 PROKR1 (0.64) PROKR1FPR2
SCHEMBL19941067 0.74 FPR2 (0.61) PROKR1FPR2
SCHEMBL19941061 0.73 FPR2 (0.60) PROKR1FPR2
SCHEMBL19941308 0.73 FPR2 (0.62) PROKR1FPR2
SCHEMBL15548712 0.70 PROKR1 (1.00) PROKR1FPR2
SCHEMBL19940766 0.69 FPR2 (0.64) PROKR1FPR2
SCHEMBL19941290 0.67 FPR2 (0.65) PROKR1FPR2
SCHEMBL19941211 0.63 FPR2 (0.65) PROKR1FPR2
SCHEMBL19941296 0.63 FPR2 (0.62) PROKR1FPR2

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
EP-2855449-B1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2018-03-07 EP disclosed