SCHEMBL20177944

SCHEMBL20177944

COc1ccc(COC(=O)N[C@@H]2C3=NOCCN3C[C@H]2c2ccc(Cl)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
HTT P42858 1/20 0.38
FPR1 P21462 5/20 0.36
HTR2A P28223 1/20 0.36
MC4R P32245 4/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
ENPP2 Q13822 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 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
SCHEMBL20177559 0.91 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL20177719 0.91 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTHTR2A
SCHEMBL20177886 0.91 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTHTR2A
SCHEMBL20177925 0.87 FPR2 (0.46) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL20177654 0.86 FPR2 (0.62) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL20177613 0.85 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL20177685 0.83 FPR2 (0.59) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL20177520 0.81 FPR2 (0.64) FPR2FPR1LMNA
SCHEMBL20177489 0.78 FPR2 (0.44) FPR2SMN1; SMN2PKMHTTLMNA
SCHEMBL20177911 0.76 FPR2 (0.55) 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