SCHEMBL20103408

SCHEMBL20103408

CCc1ccc(F)c(C2CCC(CCc3cccc(CC/C(N)=N/N)c3)CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
FFAR1 O14842 2/20 0.31
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL20103318 0.85 MAOB (0.35) OPRL1MAOAMAOB
SCHEMBL18295013 0.73 SOS1 (0.40) OPRL1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL20103295 0.73 FFAR1 (0.48) FFAR1
SCHEMBL20103372 0.72 ESR1 (0.39) OPRL1FFAR1NUDT1BACE1
SCHEMBL21644870 0.72 ESR1 (0.39) OPRL1FFAR1NUDT1BACE1
SCHEMBL20103549 0.71 FFAR1 (0.52) FFAR1
SCHEMBL20103475 0.71 FFAR1 (0.43) FFAR1
SCHEMBL14297935 0.68 BACE1 (0.44) OPRL1NUDT1BACE1
SCHEMBL765783 0.68 BACE1 (0.41) OPRL1KDM1ANUDT1BACE1
SCHEMBL14314452 0.66 NUDT1 (0.46) OPRL1NUDT1BACE1

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed