SCHEMBL19215849

SCHEMBL19215849

O=C(NC1CCC(O)c2ccccc21)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PGR P06401 8/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TLR9 Q9NR96 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BDKRB1 P46663 1/20 0.37
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL15007192 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL18531736 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15007184 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL1265760 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL14856082 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL29410344 0.87 GAA (0.40) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL8062901 0.87 GAA (0.40) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15001004 0.83 TAS1R3 (0.52) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15013829 0.82 LMNA (0.38) PGRLMNAGAAKDM4EALDH1A1
SCHEMBL15007155 0.82 LMNA (0.38) PGRLMNAGAAKDM4EALDH1A1

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-3004098-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2017-08-09 EP disclosed