SCHEMBL4435108

SCHEMBL4435108

CC(C)N1CCC(CCCCOc2cccc3c2CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.44
HRH3 Q9Y5N1 4/20 0.43
AKR1C3 P42330 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
NPY1R P25929 1/20 0.37
ACACB O00763 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
HTR7 P34969 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
SCHEMBL3186530 0.86 GPR119 (0.49) S1PR5HRH3AKR1C3ABHD6GPR119
SCHEMBL4437451 0.80 HRH3 (0.53) HRH3ACACBGPR119
SCHEMBL3178990 0.80 GPR119 (0.55) S1PR5GPR119
SCHEMBL3181898 0.80 S1PR5 (0.46) S1PR5HRH3AKR1C3ABHD6ACACB
SCHEMBL4437051 0.79 HRH3 (0.41) S1PR5HRH3NPY1RGPR119
SCHEMBL3170712 0.77 GPR119 (0.49) GPR119
SCHEMBL4563873 0.73 MOGAT2 (0.54)
SCHEMBL2251879 0.71 GPR119 (0.49) GPR119
SCHEMBL4434575 0.70 ESR1 (0.42) HRH3ACACB
SCHEMBL4444433 0.69 ESR2 (0.43) HRH3

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