SCHEMBL14466902

SCHEMBL14466902

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
MAPK14 Q16539 3/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 1/20 0.41
MLNR O43193 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD11B1 P28845 1/20 0.40
HRH1 P35367 3/20 0.40
CCR3 P51677 3/20 0.40
PRKAA2 P54646 1/20 0.40
CNR1 P21554 1/20 0.39
LSS P48449 1/20 0.38
GPR6 P46095 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL14467021 0.86 EPHX2 (0.46) EPHX2MAPK14ADRB2MLNRCYP3A4
SCHEMBL14467001 0.86 ADRB2 (0.48) EPHX2HPGDSMN1; SMN2ADRB2HSD11B1
SCHEMBL14467022 0.84 EPHX2 (0.44) EPHX2MAPK14ADRB2MLNRCYP3A4
SCHEMBL14466894 0.83 EPHX2 (0.43) EPHX2HPGDSMN1; SMN2ADRB2MLNR
SCHEMBL5320414 0.82 GRIN2D (0.46) EPHX2ADRB2MLNRCYP3A4CCR3
SCHEMBL14466892 0.81 GPR6 (0.51) EPHX2HPGDSMN1; SMN2HRH1CCR3
SCHEMBL14467393 0.80 EPHX2 (0.43) EPHX2HPGDSMN1; SMN2ADRB2MLNR
SCHEMBL5320384 0.80 GRIN2D (0.47) EPHX2ADRB2MLNRCYP3A4CCR3
SCHEMBL5320264 0.79 GRIN2D (0.44) EPHX2MAPK14ADRB2MLNRCYP3A4
SCHEMBL14466898 0.79 GRIN2D (0.53) EPHX2HRH1CCR3KCNH2

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