SCHEMBL20177901

SCHEMBL20177901

CCOc1cc(F)c([C@@H]2CNC(=S)[C@H]2NC(=O)OCc2ccc(OC)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 18/20 0.49
FPR1 P21462 15/20 0.47
NAAA Q02083 2/20 0.42
ASAH1 Q13510 1/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL20177658 0.91 FPR2 (0.48) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177655 0.90 FPR2 (0.61) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177501 0.89 FPR2 (0.47) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177604 0.89 FPR2 (0.47) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177629 0.87 FPR2 (0.54) FPR2FPR1CYP3A4
SCHEMBL20177506 0.83 FPR2 (0.44) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177905 0.81 FPR2 (0.42) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177601 0.81 FPR2 (0.61) FPR2FPR1CYP3A4
SCHEMBL20177669 0.80 FPR1 (0.43) FPR2FPR1NAAAASAH1
SCHEMBL20177677 0.80 FPR1 (0.40) 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