SCHEMBL2554612

SCHEMBL2554612

CC(C)(C)N1CCC(OC2CCC(Oc3ccc(S(C)(=O)=O)cc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.67
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP13 P45452 1/20 0.40
MMP14 P50281 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
SCHEMBL2553495 0.82 GPR119 (0.61) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL2556341 0.82 GPR119 (0.61) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL12283335 0.81 GPR119 (1.00) GPR119
SCHEMBL2555904 0.81 GPR119 (1.00) GPR119
SCHEMBL2555906 0.81 GPR119 (1.00) GPR119
SCHEMBL14634420 0.81 GPR119 (0.73) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL2556261 0.81 GPR119 (0.73) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL14634426 0.81 GPR119 (0.60) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL14634424 0.81 GPR119 (0.60) GPR119MAPTSMN1; SMN2HRH3HRH1
SCHEMBL2554732 0.81 GPR119 (0.72) GPR119HRH3HRH1EPHX2

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-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed