SCHEMBL21764677

SCHEMBL21764677

Cc1cccnc1OC1CCN(C(=O)OC(C)(C)C)CC12CC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
SSTR4 P31391 6/20 0.43
POLB P06746 1/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SSTR1 P30872 2/20 0.39

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
SCHEMBL21764675 0.89 POLB (0.46) GPR119SSTR4POLBPDE4APDE4B
SCHEMBL10116593 0.82 GPR119 (0.61) GPR119
SCHEMBL21752528 0.82 GPR119 (0.55) GPR119POLB
SCHEMBL17672409 0.80 PIK3CD (0.56) GPR119
SCHEMBL10116785 0.79 GPR119 (0.42) GPR119
SCHEMBL10134616 0.74 GPR119 (0.47) GPR119
SCHEMBL30153517 0.72 SSTR4 (0.75) SSTR4SSTR1
SCHEMBL11361492 0.72 GPR119 (0.57) GPR119POLB
SCHEMBL17499841 0.72 POLB (0.40) GPR119SSTR4POLBSSTR1
SCHEMBL17455965 0.72 GPR119 (0.46) GPR119PDE4APDE4BPDE4CPDE4D

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-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 WO disclosed