SCHEMBL5323872

SCHEMBL5323872

O=C(c1cc(Cl)ncc1Cl)N1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTR2B P41595 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MLNR O43193 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL14467011 0.83 MAPK14 (0.48) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL14467035 0.82 MAPK14 (0.47) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL5339899 0.82 MAPK14 (0.47) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL5319166 0.81 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL5323974 0.81 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2BMLNR
Hydrochloric Acid SCHEMBL5321355 0.80 MAPK14 (0.56) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL5323972 0.79 MAPK14 (0.55) MAPK14CYP2C9CYP2C19HTR2B
SCHEMBL5336016 0.77 MAPK14 (0.46) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL13936069 0.77 MAPK14 (0.62) MAPK14CYP2C9CYP2C19HTR2BMEN1
SCHEMBL1761030 0.76 MEN1 (0.55) MAPK14CYP2C9CYP2C19MEN1KMT2A

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