SCHEMBL4434244

SCHEMBL4434244

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.53
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ACACB O00763 2/20 0.45
MOGAT2 Q3SYC2 8/20 0.43
KDM2B Q8NHM5 1/20 0.41
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3188600 0.85 GPR119 (0.58)
SCHEMBL3178592 0.83 GPR119 (0.55) HRH3ESR1ESR2ACACB
SCHEMBL3180742 0.82 HRH3 (0.56) HRH3ESR1ESR2ACACB
SCHEMBL3178450 0.82 HRH3 (0.55) HRH3ESR1ESR2MOGAT2CYP2D6
SCHEMBL3180425 0.81 GPR119 (0.47) HRH3ESR1ESR2ACACBMOGAT2
SCHEMBL4437451 0.81 HRH3 (0.53) HRH3ESR1ESR2ACACBMOGAT2
SCHEMBL3180488 0.81 HRH3 (0.53) HRH3ESR1ESR2ACACBMOGAT2
SCHEMBL3185866 0.81 GPR119 (0.58) HRH3
SCHEMBL3182548 0.80 GPR119 (0.65) HRH3
SCHEMBL14116821 0.80 HRH3 (0.45) HRH3ESR1ESR2ACACBMOGAT2

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