SCHEMBL5323864

SCHEMBL5323864

Cn1ccc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
CHRNA7 P36544 3/20 0.48
EPHX2 P34913 1/20 0.46
ADRB2 P07550 1/20 0.45
HRH1 P35367 2/20 0.44
CCR3 P51677 2/20 0.44
MLNR O43193 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD11B1 P28845 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL14337866 0.82 MAPK14 (0.59) MAPK14MLNRCYP3A4HSD11B1
SCHEMBL5318563 0.80 EPHX2 (0.52) EPHX2ADRB2HRH1CCR3MLNR
SCHEMBL5317962 0.78 HPGD (0.50) EPHX2ADRB2HRH1CCR3MLNR
SCHEMBL5317983 0.78 ADRB2 (0.46) MAPK14EPHX2ADRB2MLNRCYP3A4
SCHEMBL14467014 0.78 MAPK14 (0.58) MAPK14EPHX2
SCHEMBL5321693 0.77 EPHX2 (0.49) EPHX2ADRB2HRH1CCR3MLNR
SCHEMBL1807163 0.76 CHRNA7 (0.56) CHRNA7
SCHEMBL1807186 0.76 HRH3 (0.51) CHRNA7
SCHEMBL14466895 0.76 PRKAA2 (0.51) EPHX2ADRB2HRH1CCR3MLNR
SCHEMBL5323904 0.74 EPHX2 (0.48) 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