SCHEMBL5317962

SCHEMBL5317962

Nc1cc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
ADRB2 P07550 1/20 0.48
HSD11B1 P28845 3/20 0.47
HRH1 P35367 2/20 0.45
CCR3 P51677 2/20 0.45
MLNR O43193 1/20 0.45
CYP3A4 P08684 1/20 0.45
CNR1 P21554 1/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
KCNH2 Q12809 2/20 0.43
MCHR1 Q99705 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42

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
SCHEMBL5321693 0.88 EPHX2 (0.49) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL5318563 0.86 EPHX2 (0.52) SMN1; SMN2EPHX2ADRB2HSD11B1HRH1
SCHEMBL5323904 0.83 EPHX2 (0.48) EPHX2ADRB2HSD11B1HRH1CCR3
SCHEMBL14467001 0.79 ADRB2 (0.48) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL14466902 0.78 EPHX2 (0.45) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL5323864 0.78 MAPK14 (0.49) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL14466895 0.78 PRKAA2 (0.51) EPHX2ADRB2HSD11B1HRH1CCR3
SCHEMBL14466894 0.76 EPHX2 (0.43) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL14467393 0.76 EPHX2 (0.43) HPGDSMN1; SMN2EPHX2ADRB2HSD11B1
SCHEMBL14466892 0.76 GPR6 (0.51) HPGDSMN1; SMN2EPHX2HRH1CCR3

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