SCHEMBL27488335

SCHEMBL27488335

CC1(Cc2ccccc2)CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 1/20 0.40
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6388482 1.00 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL5639001 0.98 MAOA (0.50) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL6672640 0.93 MAOA (0.50) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL28259694 0.89 OPRL1 (0.41) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL2374703 0.89 MAOA (0.54) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL11365074 0.83 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL11817033 0.81 ACAT2 (0.39) KMT2A
SCHEMBL28161193 0.79 MAOA (0.48) MAOAMAOBOPRM1OPRK1OPRL1
SCHEMBL18114513 0.79 OPRM1 (0.42) MAOAMAOBOPRM1OPRL1SLC6A3
SCHEMBL13757097 0.79 TSHR (0.46) MAOAMAOBOPRM1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1939909-A Control of arthropods in animals AVENTIS CROPSCIENCE SA (FR) 2007-04-04 CN disclosed
CN-1402713-A Controlling arthropods in animals AVENTIS CROPSCIENCE SA (FR) 2003-03-12 CN disclosed
CN-1161034-A Substituted cycloalkylamino and cycloalkoxy heterocycles, process for preparing the same and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-01 CN disclosed