SCHEMBL20177492

SCHEMBL20177492

COc1cc(F)c(C2CN/C(=N\N)C2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
FPR1 P21462 17/20 0.34
FPR2 P25090 16/20 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
SCHEMBL19559530 0.87 FPR1 (0.35) FPR1FPR2
SCHEMBL19559481 0.86 FPR1 (0.34) FPR1FPR2
SCHEMBL18117758 0.86 FPR1 (0.34) FPR1FPR2
SCHEMBL20177671 0.81
SCHEMBL16785344 0.78 FPR1 (0.35) FPR1FPR2
SCHEMBL18117741 0.78 FPR1 (0.35) FPR1FPR2
SCHEMBL20177630 0.78 FPR1 (0.38) TAAR1FPR1FPR2
SCHEMBL16785337 0.78 PDE4A (0.49) FPR1FPR2
SCHEMBL19559455 0.78 PDE4A (0.49) FPR1FPR2
SCHEMBL18117778 0.77 LRRK2 (0.38) 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