SCHEMBL20177481

SCHEMBL20177481

COc1cc(F)c([C@H]2CC3NN=CN3C2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.31
FPR2 P25090 4/20 0.31
CPS1 P31327 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
SCHEMBL20177799 0.72 FPR2 (0.32) FPR2CPS1
SCHEMBL20177515 0.68 SMN1; SMN2 (0.35) FPR1FPR2CPS1
SCHEMBL22015871 0.66 FPR1 (0.36) FPR1FPR2
SCHEMBL18117769 0.62 PDE4A (0.50) FPR1CPS1
SCHEMBL21341950 0.62 HTR2A (0.48) FPR1FPR2
SCHEMBL19559459 0.62 PDE4A (0.50) FPR1CPS1
SCHEMBL20177493 0.61 ADRA1A (0.36) FPR1FPR2CPS1
SCHEMBL20177825 0.61 ADRA1A (0.61)
SCHEMBL20177794 0.61 ADRA1A (0.61)
SCHEMBL20177498 0.61 CYP11B1 (0.34) FPR2CPS1

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