SCHEMBL31254496

SCHEMBL31254496

CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.62
▸ RET P07949 1/20 0.47
▸ GRM5 P41594 2/20 0.47
▸ GRM1 Q13255 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL16112856 0.86 GPR119 (0.60) GPR119GRM5GRM1USP30POLB
SCHEMBL16134968 0.86 GPR119 (0.60) GPR119GRM5GRM1USP30POLB
SCHEMBL19991693 0.82 GPR119 (0.62) GPR119RETUSP30
SCHEMBL19991692 0.82 GPR119 (0.62) GPR119RETUSP30
SCHEMBL19991694 0.82 GPR119 (0.62) GPR119RETUSP30
SCHEMBL27090945 0.82 GPR119 (0.68) GPR119
SCHEMBL31254491 0.81 GPR119 (0.49) GPR119RETUSP30
SCHEMBL22495526 0.81 GPR119 (0.70) GPR119GRM5GRM1
SCHEMBL22495527 0.81 GPR119 (0.70) GPR119GRM5GRM1
SCHEMBL29461508 0.81 GPR119 (0.70) GPR119GRM5GRM1

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-2024233951-A1 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED ALPHA SYNUCLEIN IN THE SYNUCLEINOPATHIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-11-14 — — WO disclosed
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