SCHEMBL20177658

SCHEMBL20177658

COc1ccc(COC(=O)N[C@@H]2C(=S)NC[C@H]2c2c(F)cc(F)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.48
FPR1 P21462 14/20 0.48
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.40
ASAH1 Q13510 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KCNQ2 O43526 1/20 0.39

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
SCHEMBL20177604 0.93 FPR2 (0.47) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177501 0.93 FPR2 (0.47) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177901 0.91 FPR2 (0.49) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177601 0.89 FPR2 (0.61) FPR2FPR1CYP3A4
SCHEMBL20177629 0.89 FPR2 (0.54) FPR2FPR1CYP3A4KCNQ2
SCHEMBL20177669 0.83 FPR1 (0.43) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177677 0.83 FPR1 (0.40) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177914 0.83 FPR1 (0.43) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177684 0.82 FPR2 (0.43) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177894 0.82 FPR2 (0.59) FPR2FPR1CYP3A4

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed