SCHEMBL7683388

SCHEMBL7683388

O=CCCCC1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR6 P50406 1/20 0.45
BCHE P06276 1/20 0.44
SIGMAR1 Q99720 4/20 0.43

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
SCHEMBL2325962 0.90 MTNR1A (0.50) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL833049 0.80 HTR6 (0.50) MTNR1AMTNR1BHTR6
SCHEMBL19358515 0.78 BCHE (0.50) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL16648325 0.78 HTR6 (0.49) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL6244806 0.78 HTR6 (0.49) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL27838111 0.78 BCHE (0.60) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL7167235 0.78 HTR6 (0.51) MTNR1AMTNR1BHTR6BCHE
SCHEMBL1567620 0.78 MTNR1A (0.54) MTNR1AMTNR1BHTR6BCHE
SCHEMBL6758153 0.77 BCHE (0.59) MTNR1AMTNR1BHTR6BCHESIGMAR1
SCHEMBL7442815 0.77 MTNR1A (0.50) MTNR1AMTNR1BHTR6BCHESIGMAR1

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