SCHEMBL5323974

SCHEMBL5323974

Nc1ccc(Cl)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

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
CCR3 P51677 2/20 0.54
MLNR O43193 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
Hydrochloric Acid SCHEMBL5321355 0.99 MAPK14 (0.56) MAPK14CYP2C9CYP2C19HTR2BCCR3
SCHEMBL5323972 0.87 MAPK14 (0.55) MAPK14CYP2C9CYP2C19HTR2BCCR3
SCHEMBL5319166 0.86 MAPK14 (0.57) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL5317704 0.84 MAPK14 (0.69) MAPK14CYP2C9CYP2C19CCR3
SCHEMBL5323872 0.81 MAPK14 (0.54) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL5318563 0.81 EPHX2 (0.52) CCR3MLNRCYP3A4
SCHEMBL7232623 0.79 CYP2C9 (0.73) MAPK14CYP2C9CYP2C19HTR2B
SCHEMBL14337866 0.79 MAPK14 (0.59) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14467499 0.79 MAPK14 (0.55) MAPK14CYP2C9CYP2C19HTR2BMLNR
SCHEMBL14467025 0.78 MAPK14 (0.60) 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 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