SCHEMBL3800340

SCHEMBL3800340

CC(C)(C)OC(=O)N1CCN(c2nccn3c(Br)cnc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.53
GPR119 Q8TDV5 8/20 0.46
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KIT P10721 2/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2400230 0.95 GRIA1 (0.51) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL2403388 0.81 GPR119 (0.43) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL23500701 0.79 RET (0.39) GRIA1
SCHEMBL30783301 0.78 CCND3 (0.51)
SCHEMBL7061217 0.78 GPR119 (0.49) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL2402317 0.77 GRIA1 (0.36) GRIA1
SCHEMBL2401761 0.77 GBA1 (0.54) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL122648 0.76 PDE10A (0.53) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL2405697 0.76 NR1H2 (0.42) GRIA1GPR119CKS1BSKP1SKP2
SCHEMBL18190024 0.76 GRIA1 (0.76) GRIA1CKS1BSKP1SKP2

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
WO-2010088518-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-08-05 WO disclosed
WO-2010088518-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-08-05 WO disclosed