SCHEMBL20177511

SCHEMBL20177511

COc1ccc(COC(=O)N[C@@H]2C(=O)NC[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.67
FPR1 P21462 9/20 0.67
NAAA Q02083 6/20 0.49
ASAH1 Q13510 2/20 0.49
REN P00797 2/20 0.47

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
SCHEMBL20177842 0.90 FPR1 (0.53) FPR2FPR1NAAAASAH1
SCHEMBL18117743 0.90 FPR1 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL18578943 0.90 FPR1 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL29434213 0.90 FPR1 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL18117749 0.90 FPR1 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL20177949 0.89 FPR1 (0.52) FPR2FPR1NAAAASAH1REN
SCHEMBL20177911 0.85 FPR2 (0.55) FPR2FPR1NAAAASAH1
SCHEMBL20177894 0.84 FPR2 (0.59) FPR2FPR1
SCHEMBL20177940 0.82 FPR1 (0.47) FPR2FPR1NAAAASAH1REN
SCHEMBL20177926 0.81 FPR1 (0.51) FPR2FPR1NAAAASAH1

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