SCHEMBL20177925

SCHEMBL20177925

COc1ccc(COC(=O)N[C@@H]2C3=NOCCN3C[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
FPR1 P21462 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
REN P00797 1/20 0.37

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
SCHEMBL20177559 0.87 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177944 0.87 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTLMNA
SCHEMBL20177489 0.85 FPR2 (0.44) FPR2SMN1; SMN2PKMHTTMEN1
SCHEMBL20177654 0.84 FPR2 (0.62) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177719 0.84 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177613 0.82 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177685 0.81 FPR2 (0.59) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177886 0.80 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTALDH1A1
SCHEMBL20177614 0.80 CTSL (0.42) FPR2ALDH1A1MEN1KMT2AGPBAR1
SCHEMBL20177520 0.79 FPR2 (0.64) FPR2LMNAFPR1

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