SCHEMBL20177826

SCHEMBL20177826

COc1cc(F)c([C@@H]2Cn3ccnc3[C@H]2N)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.36
FPR1 P21462 13/20 0.36
ADRA1A P35348 2/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL20177716 0.83 KDM1A (0.34) FPR2ADRA1AKDM1A
SCHEMBL20177760 0.83 ADRA1A (0.31) FPR2ADRA1A
SCHEMBL20177625 0.80 AADAT (0.33) FPR2FPR1KDM1A
SCHEMBL18264305 0.79 FPR2 (0.48) FPR2FPR1
SCHEMBL18264306 0.79 FPR2 (0.48) FPR2FPR1
SCHEMBL18264318 0.75 FPR2 (0.34) FPR2FPR1KDM1A
SCHEMBL18264320 0.75 FPR2 (0.34) FPR2FPR1KDM1A
SCHEMBL18264291 0.73 FPR2 (0.64) FPR2FPR1
SCHEMBL18270477 0.71 FPR2 (0.45) FPR2FPR1
SCHEMBL20177825 0.71 ADRA1A (0.61) ADRA1A

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