SCHEMBL26239077

SCHEMBL26239077

COCC(C(=O)NCC(C)C)N1CCC(c2cccc(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.41
▸ ASAH1 Q13510 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.35
▸ CALCRL Q16602 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ MC4R P32245 1/20 0.34

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
SCHEMBL25390755 0.90 ASAH1 (0.38) HCRTR2ASAH1GPR119
SCHEMBL26239074 0.81 KCNH2 (0.44) —
SCHEMBL26239145 0.77 ADRA1D (0.39) LMNAMC4R
SCHEMBL26238972 0.70 ASAH1 (0.39) HCRTR2ASAH1GPR119DRD4
SCHEMBL25388839 0.70 MEN1 (0.35) LMNA
SCHEMBL26238978 0.69 USP30 (0.43) HCRTR2ASAH1DRD4
SCHEMBL25391308 0.67 PRCP (0.47) —
SCHEMBL26238969 0.67 CHRM4 (0.44) HCRTR2ASAH1LMNAGPR119DRD4
SCHEMBL26238976 0.67 ASAH1 (0.42) HCRTR2ASAH1GPR119DRD4MC4R
SCHEMBL28761288 0.65 RBP4 (0.43) —

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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