SCHEMBL19940790

SCHEMBL19940790

Cc1nn(C)c(Cl)c1SN1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.60
PROKR1 Q8TCW9 9/20 0.60
ALDH1A1 P00352 1/20 0.43
RPS6KB1 P23443 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19940734 0.91 FPR2 (0.60) FPR2PROKR1ALDH1A1RPS6KB1
SCHEMBL15549113 0.75 FPR2 (1.00) FPR2PROKR1
SCHEMBL2056158 0.74 ALDH1A1 (0.61) FPR2PROKR1ALDH1A1RPS6KB1SLC6A2
SCHEMBL19940809 0.73 FPR2 (0.63) FPR2PROKR1
SCHEMBL19941200 0.71 FPR2 (0.59) FPR2PROKR1
SCHEMBL15549371 0.71 FPR2 (1.00) FPR2PROKR1
SCHEMBL20349468 0.70 ALDH1A1 (0.56) FPR2PROKR1ALDH1A1RPS6KB1SLC6A2
SCHEMBL19941260 0.70 FPR2 (0.62) FPR2PROKR1TP53
SCHEMBL19941210 0.69 FPR2 (0.59) FPR2PROKR1
SCHEMBL22642448 0.68 ALDH1A1 (0.61) FPR2PROKR1ALDH1A1RPS6KB1SLC6A2

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