SCHEMBL20177683

SCHEMBL20177683

CCOc1cc(F)c([C@H]2CC3=NOCCN3C2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL20177787 0.87 FPR2 (0.46) FPR2
SCHEMBL20177526 0.87 FPR2 (0.46) FPR2
SCHEMBL20177602 0.82 FPR2 (0.34) FPR2SMN1; SMN2RAB9A
SCHEMBL20177622 0.81 FPR2 (0.34) FPR2
SCHEMBL20177551 0.80 FPR2 (0.35) FPR2
SCHEMBL20177508 0.75 FPR2 (0.46) FPR2SMN1; SMN2MEN1KMT2ATP53
SCHEMBL20177747 0.71 KDM1A (0.36)
SCHEMBL20177546 0.71 KDM1A (0.36)
SCHEMBL20177660 0.62 PDE4A (0.49) FPR2KCNH2
SCHEMBL20177904 0.62 FPR2 (0.39) FPR2MEN1KMT2AALDH1A1POLB

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