SCHEMBL7676508

SCHEMBL7676508

CC(C=O)CC1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
PRCP P42785 2/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PDPK1 O15530 1/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 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
SCHEMBL17295913 0.81 PRCP (0.56) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL8695536 0.78 HTR6 (0.43) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL29462285 0.78 HTR6 (0.53) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL9636734 0.78 HTR6 (0.49) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL21194619 0.78 HTR6 (0.53) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL18709273 0.78 HTR6 (0.49) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL19677006 0.78 HTR6 (0.49) HTR6MTNR1AMTNR1BPRCPPDPK1
SCHEMBL9862472 0.77 PDPK1 (0.43) MTNR1AMTNR1BPRCPPDPK1IDO1
SCHEMBL14356154 0.76 MTNR1B (0.47) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL833049 0.76 HTR6 (0.50) HTR6MTNR1AMTNR1BPDPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362141-B1 ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-26 US claimed
US-6342612-B1 FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-01-29 US claimed
US-6362141-B1 ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-26 US disclosed
US-6342612-B1 FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-01-29 US disclosed