SCHEMBL2554613

SCHEMBL2554613

CC(C)(C)N1CCC(OC2CCC(Oc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.65
HRH3 Q9Y5N1 10/20 0.63
FPR2 P25090 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
EPHX2 P34913 2/20 0.40
MLNR O43193 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL2573355 0.79 GPR119 (1.00) GPR119HRH3
SCHEMBL2573353 0.79 GPR119 (1.00) GPR119HRH3
SCHEMBL22138868 0.79 HRH3 (0.71) GPR119HRH3FPR2PROKR1EPHX2
SCHEMBL5024491 0.79 HRH3 (0.71) GPR119HRH3FPR2PROKR1EPHX2
SCHEMBL229024 0.78 HRH3 (1.00) GPR119HRH3FPR2PROKR1RORA
SCHEMBL14634277 0.77 GPR119 (0.71) GPR119HRH3FPR2PROKR1EPHX2
SCHEMBL2554612 0.77 GPR119 (0.67) GPR119HRH3EPHX2
SCHEMBL14634278 0.77 GPR119 (0.71) GPR119HRH3FPR2PROKR1EPHX2
SCHEMBL21004251 0.76 SMN1; SMN2 (0.55) HRH3FPR2PROKR1EPHX2
SCHEMBL21004332 0.76 FPR2 (0.46) HRH3FPR2PROKR1EPHX2

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 3 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 claimed
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