SCHEMBL5336016

SCHEMBL5336016

O=C(c1cc(Nc2cnccn2)ccc1Cl)N1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTR2B P41595 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.43
CCR3 P51677 3/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL14467035 0.89 MAPK14 (0.47) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL5346573 0.82 AURKA (0.49) MAPK14CYP2C9CYP2C19HTR2BCCR3
SCHEMBL5339899 0.78 MAPK14 (0.47) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL14466890 0.78 MAPK14 (0.45) MAPK14CYP2C9CYP2C19HTR2BCCR3
SCHEMBL14467011 0.78 MAPK14 (0.48) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL5323872 0.77 MAPK14 (0.54) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL5319166 0.76 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2B
SCHEMBL5323974 0.76 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2BCCR3
SCHEMBL14467025 0.76 MAPK14 (0.60) MAPK14CYP2C9CYP2C19HTR2BCCR3
Hydrochloric Acid SCHEMBL5321355 0.75 MAPK14 (0.56) MAPK14CYP2C9CYP2C19HTR2BCCR3

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