SCHEMBL20177529

SCHEMBL20177529

O=C(Nc1ccc(F)cc1)N[C@@H]1c2nncn2C[C@H]1c1c(F)cc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.46
FPR1 P21462 12/20 0.46
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL20177478 0.87 FPR2 (0.60) FPR2FPR1
SCHEMBL20177528 0.85 FPR2 (0.48) FPR2FPR1
SCHEMBL20177563 0.77 FPR2 (0.45) FPR2FPR1NPC1RAB9A
SCHEMBL20177524 0.75 FPR2 (0.50) FPR2FPR1
SCHEMBL20177479 0.74 FPR2 (0.79) FPR2FPR1EPHX2
SCHEMBL18264289 0.73 FPR2 (0.64) FPR2FPR1
SCHEMBL18264291 0.73 FPR2 (0.64) FPR2FPR1
SCHEMBL20177936 0.71 KDM1A (0.32)
SCHEMBL18264221 0.70 FPR2 (0.63) FPR2FPR1
SCHEMBL18264245 0.70 FPR2 (0.60) 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