SCHEMBL5319166

SCHEMBL5319166

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
HTR2B P41595 1/20 0.57
MLNR O43193 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD11B1 P28845 1/20 0.46
PRSS12 P56730 1/20 0.46
SPR P35270 1/20 0.46
CCR5 P51681 1/20 0.46

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
SCHEMBL5323974 0.86 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2BMLNR
Hydrochloric Acid SCHEMBL5321355 0.85 MAPK14 (0.56) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL5323972 0.84 MAPK14 (0.55) MAPK14CYP2C9CYP2C19HTR2BHSD11B1
SCHEMBL5323872 0.81 MAPK14 (0.54) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14467025 0.78 MAPK14 (0.60) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL13936069 0.78 MAPK14 (0.62) MAPK14CYP2C9CYP2C19HTR2BPRSS12
SCHEMBL14337866 0.77 MAPK14 (0.59) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14473858 0.77 MAPK14 (0.54) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14337888 0.77 MAPK14 (0.61) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14467499 0.77 MAPK14 (0.55) MAPK14CYP2C9CYP2C19HTR2BMLNR

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