SCHEMBL20177616

SCHEMBL20177616

N[C@@H]1C2=NOCCN2C[C@H]1c1c(F)cc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
KDM1A O60341 4/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL20177853 0.90 FPR2 (0.45) FPR2
SCHEMBL20177889 0.84 KDM1A (0.48) FPR2KDM1AKDM1B
SCHEMBL20177536 0.77 KDM1A (0.40) FPR2KDM1AKDM1B
SCHEMBL20177923 0.74 HTR2A (0.43) FPR2KDM1AKDM1B
SCHEMBL20408782 0.74 FPR2 (0.45) FPR2
SCHEMBL20177479 0.73 FPR2 (0.79) FPR2
SCHEMBL20177480 0.71 FPR2 (0.31) FPR2
SCHEMBL20177590 0.69 CYP1A2 (0.33) FPR2KDM1A
SCHEMBL20177613 0.68 FPR2 (0.58) FPR2
SCHEMBL20177936 0.64 KDM1A (0.32) KDM1AKDM1B

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