SCHEMBL470523

SCHEMBL470523

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nc(C(C)(C)O)no2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.35
NR1H2 P55055 1/20 0.33
ALOX5AP P20292 1/20 0.33
RET P07949 6/20 0.32
KDM4D Q6B0I6 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL12064744 0.95 NTRK1 (0.34) NTRK1NR1H2ALOX5APRETGPR119
SCHEMBL12064745 0.95 NTRK1 (0.34) NTRK1NR1H2ALOX5APRETKDM4D
SCHEMBL12064814 0.94 NR1H2 (0.33) NR1H2ALOX5APRETGPR119EIF2AK4
SCHEMBL462819 0.89 NTRK1 (0.34) NTRK1NR1H2RETGPR119
SCHEMBL470486 0.88 NTRK1 (0.36) NTRK1NR1H2RETKDM4DGPR119
SCHEMBL470798 0.88 DPP4 (0.32) NR1H2ALOX5APGPR119KCNH2
SCHEMBL12064983 0.86 GPR119 (0.36) NR1H2GPR119KCNH2
SCHEMBL470535 0.86 NR1H2 (0.33) NR1H2RETEIF2AK4CKS1BSKP1
SCHEMBL470580 0.86 NR1H2 (0.33) NR1H2RETEIF2AK4CKS1BSKP1
SCHEMBL470549 0.86 ALOX5AP (0.30) ALOX5APCKS1BSKP1SKP2

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