SCHEMBL4701616

SCHEMBL4701616

CCC[C@H](NCC(O)C1CCCCC1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 6/20 0.42
MAPK14 Q16539 3/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
ACR P10323 1/20 0.41
MAPK8 P45983 1/20 0.40
FAAH O00519 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
CHEK1 O14757 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL4697523 0.87 MAPK14 (0.46) KDM5BMAPK14DDR1DDR2ACR
SCHEMBL4698884 0.83 ACR (0.47) MAPK14ACRMAPK8ADORA3ADORA2A
SCHEMBL4696716 0.83 ACR (0.44) MAPK14ACRMAPK8FAAHADORA3
SCHEMBL4751605 0.80 MAPK8 (0.41) KDM5BMAPK14DDR1DDR2ACR
SCHEMBL4697067 0.79 PSEN1 (0.47) KDM5BMAPK14ACRMAPK8ADORA3
SCHEMBL4697001 0.78 MAPK8 (0.43) KDM5BMAPK14DDR1DDR2ACR
SCHEMBL4697999 0.77 PSEN1 (0.47) KDM5BMAPK14DDR1DDR2MAPK8
SCHEMBL4698770 0.77 KDM5B (0.40) KDM5BMAPK14DDR1DDR2ACR
SCHEMBL4755672 0.77 PSEN1 (0.51) KDM5BMAPK8
SCHEMBL4700674 0.76 KDM5B (0.39) KDM5BMAPK14DDR1DDR2ACR

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
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed