SCHEMBL5318563

SCHEMBL5318563

Nc1ccc(Cl)c(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
ADRB2 P07550 1/20 0.50
HRH1 P35367 4/20 0.49
CCR3 P51677 4/20 0.49
HSD11B1 P28845 3/20 0.47
MLNR O43193 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
CNR1 P21554 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL5317962 0.86 HPGD (0.50) EPHX2ADRB2HRH1CCR3HSD11B1
SCHEMBL5323904 0.84 EPHX2 (0.48) EPHX2ADRB2HRH1CCR3HSD11B1
SCHEMBL14466895 0.84 PRKAA2 (0.51) EPHX2ADRB2HRH1CCR3HSD11B1
SCHEMBL5321693 0.83 EPHX2 (0.49) EPHX2ADRB2HRH1CCR3HSD11B1
SCHEMBL4603720 0.81 RAB9A (0.59) EPHX2HRH1CCR3HSD11B1GAA
SCHEMBL5323974 0.81 MAPK14 (0.57) CCR3MLNRCYP3A4
SCHEMBL5323864 0.80 MAPK14 (0.49) EPHX2ADRB2HRH1CCR3HSD11B1
SCHEMBL14466901 0.80 GRIN2D (0.55) EPHX2ADRB2HRH1CCR3SMN1; SMN2
Hydrochloric Acid SCHEMBL5321355 0.80 MAPK14 (0.56) CCR3MLNRCYP3A4
SCHEMBL14467021 0.79 EPHX2 (0.46) EPHX2ADRB2HRH1CCR3MLNR

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-2007082079-A2 PIPERIDINE AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed