SCHEMBL21179336

SCHEMBL21179336

CC(C)c1cc(O)n(-c2cc(N3CC[C@H](Oc4cnccc4C#N)C3)ncn2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.41
▸ RET P07949 5/20 0.37
▸ SLC5A7 Q9GZV3 1/20 0.37
▸ ACACB O00763 6/20 0.36
▸ DCK P27707 1/20 0.36
▸ GPR6 P46095 1/20 0.34
▸ PDE3B Q13370 4/20 0.34
▸ PDE3A Q14432 4/20 0.34

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
SCHEMBL21191943 1.00 PDE10A (0.41) PDE10ARETSLC5A7ACACBDCK
SCHEMBL21191756 0.90 PDE10A (0.42) PDE10ARETDCKGPR6PDE3B
SCHEMBL21177705 0.90 PDE10A (0.42) PDE10ARETDCKGPR6PDE3B
SCHEMBL21191891 0.86 PDE10A (0.38) PDE10ARETACACBDCKGPR6
SCHEMBL21179349 0.86 PDE10A (0.38) PDE10ARETACACBDCKGPR6
SCHEMBL21191809 0.85 PDE10A (0.41) PDE10ARETDCKGPR6
SCHEMBL21191757 0.79 PDE10A (0.44) PDE10ARETACACBDCKGPR6
SCHEMBL21191758 0.78 PDE10A (0.43) PDE10ARETDCKGPR6PDE3B
SCHEMBL21177314 0.78 PDE10A (0.43) PDE10ARETDCKGPR6PDE3B
Hydrochloric Acid SCHEMBL21177938 0.78 PDE10A (0.42) PDE10ARETDCKGPR6PDE3B

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-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 — — WO disclosed
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