SCHEMBL7958667

SCHEMBL7958667

Brc1ccc2nc(O[C@@H]3CCN(c4ccncc4)C3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.44
▸ PDE3A Q14432 4/20 0.44
▸ PDE10A Q9Y233 4/20 0.44
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ ACACB O00763 6/20 0.36
▸ PDGFRB P09619 2/20 0.36
▸ PDGFRA P16234 2/20 0.36

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
SCHEMBL7957015 0.80 ACACB (0.41) PDE3BPDE3APDE10AACACB
SCHEMBL7947301 0.80 ACACB (0.41) PDE3BPDE3APDE10AACACB
SCHEMBL7961553 0.80 ACACB (0.41) PDE3BPDE3APDE10AACACB
SCHEMBL30349356 0.76 MET (0.48) PDE3BPDE3APDE10APIK3CDPIK3CA
SCHEMBL2621757 0.76 MET (0.48) PDE3BPDE3APDE10APIK3CDPIK3CA
SCHEMBL7956861 0.75 ACACB (0.51) PDE3BPDE3APDE10AACACB
SCHEMBL7958355 0.73 HRH3 (0.42) ACACB
SCHEMBL7956626 0.72 HCRTR2 (0.48) PDE10A
SCHEMBL7958453 0.71 HRH3 (0.44) PDE3BPDE3APDE10AACACB
SCHEMBL5632542 0.71 ACACB (0.43) PDE3BPDE3APDE10AACACB

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 — — US disclosed
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