SCHEMBL21179349

SCHEMBL21179349

N#Cc1ccncc1O[C@H]1CCN(c2cc(-n3nc(C(F)(F)F)cc3O)ncn2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.38
▸ RET P07949 6/20 0.37
▸ DCK P27707 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ GPR6 P46095 3/20 0.36
▸ ACACB O00763 2/20 0.36
▸ AR P10275 2/20 0.36
▸ CHRM4 P08173 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 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
SCHEMBL21191891 1.00 PDE10A (0.38) PDE10ARETDCKSCDGPR6
SCHEMBL21191756 0.87 PDE10A (0.42) PDE10ARETDCKGPR6CHRM4
SCHEMBL21177705 0.87 PDE10A (0.42) PDE10ARETDCKGPR6CHRM4
SCHEMBL21179336 0.86 PDE10A (0.41) PDE10ARETDCKGPR6ACACB
SCHEMBL21191943 0.86 PDE10A (0.41) PDE10ARETDCKGPR6ACACB
SCHEMBL21191809 0.84 PDE10A (0.41) PDE10ARETDCKGPR6CHRM4
SCHEMBL21191758 0.78 PDE10A (0.43) PDE10ARETDCKGPR6CHRM4
SCHEMBL21177314 0.78 PDE10A (0.43) PDE10ARETDCKGPR6CHRM4
Hydrochloric Acid SCHEMBL21177938 0.77 PDE10A (0.42) PDE10ARETDCKGPR6CHRM4
SCHEMBL21191757 0.76 PDE10A (0.44) PDE10ARETDCKGPR6ACACB

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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