SCHEMBL470580

SCHEMBL470580

CCc1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(C)ccc5F)C4)nc3)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
GRM4 Q14833 1/20 0.33
RET P07949 7/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAP3K5 Q99683 2/20 0.31
OPRK1 P41145 2/20 0.31
ACACB O00763 1/20 0.30
SYK P43405 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL12064983 0.92 GPR119 (0.36) NR1H2GRM4LMNAMAPT
SCHEMBL12064814 0.92 NR1H2 (0.33) NR1H2GRM4RETEIF2AK4CKS1B
SCHEMBL470535 0.91 NR1H2 (0.33) NR1H2GRM4RETEIF2AK4CKS1B
SCHEMBL463066 0.91 NR1H2 (0.33) NR1H2GRM4RETEIF2AK4CKS1B
SCHEMBL470486 0.90 NTRK1 (0.36) NR1H2RETACACB
SCHEMBL14730175 0.86 SYK (0.32) NR1H2RETEIF2AK4CKS1BSKP1
SCHEMBL470523 0.86 NTRK1 (0.35) NR1H2RETEIF2AK4CKS1BSKP1
SCHEMBL462819 0.86 NTRK1 (0.34) NR1H2RETOPRK1
SCHEMBL12064744 0.85 NTRK1 (0.34) NR1H2RET
SCHEMBL145107 0.84 DPP4 (0.32) NR1H2RETEIF2AK4ACACB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed