SCHEMBL20177508

SCHEMBL20177508

CCOc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.46
LRRK2 Q5S007 2/20 0.32
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
KDM1A O60341 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20177487 0.87 FPR2 (0.58) FPR2LRRK2KDM1A
SCHEMBL20177853 0.83 FPR2 (0.45) FPR2RAB9ASMN1; SMN2
SCHEMBL20177568 0.81 FPR2 (0.42) FPR2
SCHEMBL20177796 0.76 FPR2 (0.82) FPR2ALDH1A1
SCHEMBL20177683 0.75 FPR2 (0.36) FPR2LRRK2OPRK1OPRM1MEN1
SCHEMBL20177685 0.73 FPR2 (0.59) FPR2MEN1KMT2AALDH1A1TP53
SCHEMBL20408782 0.71 FPR2 (0.45) FPR2
SCHEMBL20177745 0.70 KDM1A (0.47) FPR2KDM1A
SCHEMBL20177923 0.69 HTR2A (0.43) FPR2LRRK2KDM1A
SCHEMBL18264295 0.68 FPR2 (0.75) FPR2

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