SCHEMBL5320264

SCHEMBL5320264

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
CHRNA7 P36544 2/20 0.42
EPHX2 P34913 2/20 0.42
PRKAA2 P54646 2/20 0.41
CCR3 P51677 1/20 0.40
MLNR O43193 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB2 P07550 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 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
SCHEMBL14467075 0.91 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5320414 0.91 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5320384 0.90 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14467021 0.89 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14466898 0.81 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14467000 0.79 KMT2A (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14466893 0.79 HRH1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5339408 0.79 HRH1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14466902 0.79 EPHX2 (0.45) EPHX2PRKAA2CCR3MLNRCYP3A4
SCHEMBL14467022 0.78 EPHX2 (0.44) EPHX2PRKAA2CCR3MLNRCYP3A4

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