SCHEMBL4437579

SCHEMBL4437579

CC(C)N1CCC(CCOc2ccc3c(c2)CCN(S(=O)(=O)C(F)(F)F)C3)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
ACACB O00763 3/20 0.46
HRH3 Q9Y5N1 9/20 0.44
MOGAT2 Q3SYC2 7/20 0.42

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
SCHEMBL3184623 0.86 GPR119 (0.53) ESR1ESR2ACACB
SCHEMBL4437451 0.83 HRH3 (0.53) ESR1ESR2ACACBHRH3MOGAT2
SCHEMBL4434244 0.76 HRH3 (0.53) ESR1ESR2ACACBHRH3MOGAT2
SCHEMBL3178592 0.75 GPR119 (0.55) ESR1ESR2ACACBHRH3
SCHEMBL3186712 0.75 GPR119 (0.62) ACACB
SCHEMBL3184728 0.74 GPR119 (0.54) ACACB
SCHEMBL14116821 0.72 HRH3 (0.45) ESR1ESR2ACACBHRH3MOGAT2
SCHEMBL3186563 0.72 GPR119 (0.52) ACACB
SCHEMBL3188326 0.72 HRH3 (0.55) ESR2ACACBHRH3
SCHEMBL3181847 0.72 GPR119 (0.56) ACACBHRH3

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
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed