SCHEMBL16795183

SCHEMBL16795183

Cc1cc(N(C)C)cc(C2CCN(CC3CCN(C(=O)O)CC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.42
CHRM4 P08173 1/20 0.38
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KDM5A P29375 2/20 0.36
THRB P10828 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17844407 0.77 AXL (0.45) MAPTKDM5ALMNA
SCHEMBL16795275 0.70 KDM4E (0.42) DRD2DRD4
SCHEMBL20139993 0.67 DRD2 (0.54) HTR1ADRD2DRD4KDM5ALMNA
SCHEMBL16795440 0.67 KDM4E (0.41) MAPTDRD2DRD4
SCHEMBL17672417 0.66 KDM5A (0.47) KDM5A
SCHEMBL21832084 0.65 ITGAV (0.45)
SCHEMBL27544940 0.65 SMN1; SMN2 (0.44) MAPTDRD2THRBLMNA
SCHEMBL15942443 0.65 KDM5A (0.47) CHRM4MAPTDRD2DRD4KDM5A
Hydrochloric Acid SCHEMBL16795310 0.65 HRH4 (0.44) CHRM4TLR9TLR8TLR7
SCHEMBL3555476 0.65 CHRM5 (0.54) MAPTTHRBLMNA

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed