SCHEMBL20177580

SCHEMBL20177580

O=C(O)[C@@H]1C(=O)NC[C@H]1c1cc(F)c(Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
KDM1B Q8NB78 1/20 0.45
FPR1 P21462 5/20 0.38
FPR2 P25090 5/20 0.38
SLC6A3 Q01959 9/20 0.36
SLC6A2 P23975 6/20 0.35
IDO1 P14902 2/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL20177591 0.84 FPR2 (0.43) KDM1AKDM1BFPR1FPR2
SCHEMBL20177703 0.82 FPR2 (0.56) FPR1FPR2SLC6A3SLC6A2SLC6A4
SCHEMBL18578825 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL16785439 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL29434292 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL16785361 0.80 LMNA (0.36) FPR1FPR2
SCHEMBL18579244 0.80 LMNA (0.36) FPR1FPR2
SCHEMBL29434265 0.80 LMNA (0.36) FPR1FPR2
SCHEMBL16799841 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL18106465 0.78 FPR2 (0.34) FPR1FPR2

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