SCHEMBL27617541

SCHEMBL27617541

N#Cc1cccc(C2=CCC(C=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.41
MCHR1 Q99705 2/20 0.40
MAOB P27338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PGR P06401 4/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CREBBP Q92793 1/20 0.38
KMT2A Q03164 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
IDO1 P14902 2/20 0.36
NOTUM Q6P988 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM1A O60341 1/20 0.36
TSHR P16473 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
SCHEMBL5240697 0.81 SIGMAR1 (0.37)
SCHEMBL2523971 0.81 NOTUM (0.47) CLK4MCHR1XDHSLC22A12NOTUM
SCHEMBL2523974 0.81 NOTUM (0.47) CLK4MCHR1XDHSLC22A12NOTUM
SCHEMBL27803799 0.77 CLK4 (0.50) CLK4MAOBPGRXDHSLC22A12
SCHEMBL27617600 0.77 IDO1 (0.35) KMT2AIDO1TSHR
SCHEMBL2521850 0.77 MCHR1 (0.41) MCHR1XDHSLC22A12KMT2AIDO1
SCHEMBL2521851 0.77 MCHR1 (0.41) MCHR1XDHSLC22A12KMT2AIDO1
SCHEMBL27599030 0.74 CREBBP (0.41) CLK4MAOBSLC6A2SLC6A3PGR
SCHEMBL2511131 0.74 CNR2 (0.44) MCHR1TSHR
SCHEMBL2511133 0.74 CNR2 (0.44) MCHR1TSHR

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
CN-1617718-A N-aryl-N'-arylcycloalkyl-urea derivatives as MCH antagonists for the treatment of obesity SCHERING CORP (US) 2005-05-18 CN disclosed