SCHEMBL20177533

SCHEMBL20177533

O=C(N[C@@H]1C(=O)NC[C@H]1c1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.53
ASAH1 Q13510 1/20 0.48
CTSL P07711 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
RCOR1 Q9UKL0 1/20 0.45
F2RL1 P55085 1/20 0.44

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 0.87 FPR1 (0.53) NAAAASAH1
SCHEMBL29434213 0.87 FPR1 (0.55) NAAAASAH1CTSL
SCHEMBL18117749 0.87 FPR1 (0.55) NAAAASAH1CTSL
SCHEMBL18578943 0.87 FPR1 (0.55) NAAAASAH1CTSL
SCHEMBL18117743 0.87 FPR1 (0.55) NAAAASAH1CTSL
SCHEMBL20177567 0.83 FPR2 (0.52) NAAACTSL
SCHEMBL22118323 0.82 NAAA (0.60) NAAAASAH1CTSL
SCHEMBL22118360 0.82 NAAA (0.60) NAAAASAH1CTSL
SCHEMBL22118428 0.82 NAAA (0.60) NAAAASAH1CTSL
SCHEMBL22118328 0.82 NAAA (0.60) NAAAASAH1CTSL

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