SCHEMBL20177599

SCHEMBL20177599

COc1ccc(COC(=O)N[C@@H]2C(=O)NC[C@H]2c2ccc(Br)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 14/20 0.54
FPR1 P21462 13/20 0.54
NAAA Q02083 6/20 0.45
ASAH1 Q13510 1/20 0.45

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
SCHEMBL20177669 0.90 FPR1 (0.43) FPR2FPR1NAAAASAH1
SCHEMBL20177911 0.89 FPR2 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL20177594 0.89 FPR2 (0.59) FPR2FPR1
SCHEMBL29434464 0.87 FPR2 (0.61) FPR2FPR1NAAA
SCHEMBL18106508 0.87 FPR2 (0.61) FPR2FPR1NAAA
SCHEMBL18106506 0.87 FPR2 (0.61) FPR2FPR1NAAA
SCHEMBL20177926 0.85 FPR1 (0.51) FPR2FPR1NAAAASAH1
SCHEMBL20177842 0.85 FPR1 (0.53) FPR2FPR1NAAAASAH1
SCHEMBL20177879 0.84 FPR2 (0.39) FPR2FPR1NAAAASAH1
SCHEMBL20177601 0.83 FPR2 (0.61) FPR2FPR1

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