SCHEMBL20177547

SCHEMBL20177547

O=C(Nc1ccc(F)cc1)N[C@@H]1C2=NOCCN2C[C@H]1c1ccc2c(c1)CCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.62
GPR142 Q7Z601 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR1 P21462 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
MAOB P27338 1/20 0.35
CA4 P22748 2/20 0.34
CA7 P43166 2/20 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
SCHEMBL20177811 0.83 FPR2 (0.66) FPR2CA12CA1CA2CA9
SCHEMBL20177545 0.83 FPR2 (0.66) FPR2MAPTSMN1; SMN2FPR1PIK3CA
SCHEMBL20177483 0.79 FPR2 (0.79) FPR2MAPTSMN1; SMN2FPR1PIK3CA
SCHEMBL20177479 0.79 FPR2 (0.79) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL18264324 0.77 FPR2 (1.00) FPR2FPR1
SCHEMBL20177523 0.77 FPR2 (0.67) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL20177843 0.77 FPR2 (0.67) FPR2MAPTSMN1; SMN2FPR1
SCHEMBL18264322 0.77 FPR2 (1.00) FPR2FPR1
SCHEMBL20177550 0.77 FPR2 (0.67) FPR2MAPTSMN1; SMN2FPR1KMT2A
SCHEMBL29434348 0.76 FPR2 (0.62) FPR2FPR1

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