SCHEMBL7683396

SCHEMBL7683396

CCC(=O)CC1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
HTR6 P50406 1/20 0.45
FFAR1 O14842 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
PPARD Q03181 1/20 0.42
BCHE P06276 1/20 0.41
PDPK1 O15530 1/20 0.41
PIN1 Q13526 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6272803 0.83 MTNR1B (0.50) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL14356155 0.83 MTNR1B (0.50) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL7847075 0.81 FFAR1 (0.62) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL7845908 0.81 FFAR1 (0.62) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL1470461 0.81 FFAR1 (0.62) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL1567606 0.81 MTNR1A (0.51) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL3348647 0.80 CYP1A2 (0.47) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL30618514 0.80 CYP1A2 (0.47) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL4714587 0.80 HTR6 (0.51) MTNR1AMTNR1BHTR6FFAR1PRMT5
SCHEMBL7296740 0.80 MTNR1A (0.50) MTNR1AMTNR1BHTR6FFAR1PRMT5

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 2 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 disclosed
US-6342612-B1 FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-01-29 US disclosed