SCHEMBL20116281

SCHEMBL20116281

Cc1ccc2cnn([C@H]3CCOC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.44
PDE1B Q01064 3/20 0.44
PDE1C Q14123 3/20 0.44
PIK3CD O00329 11/20 0.43
PDE4D Q08499 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 2/20 0.38
KMO O15229 1/20 0.37

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
SCHEMBL20116882 1.00 PDE1A (0.44) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL20116287 1.00 PDE1A (0.44) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL20676205 0.92 JAK1 (0.40) PDE1APDE1BPDE1CPIK3CDCHRM2
SCHEMBL19703352 0.92 PDE1A (0.51) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL20116574 0.88 PDE1B (0.40) PDE1APDE1BPDE1CPIK3CDCHRM2
SCHEMBL13432160 0.84 KMO (0.43) PDE1APDE1BPDE1CPIK3CDCHRM2
SCHEMBL22358058 0.83 PIK3CD (0.41) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL20676295 0.83 PIK3CD (0.42) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL22358076 0.83 PIK3CD (0.41) PDE1APDE1BPDE1CPIK3CDPDE4D
SCHEMBL26997324 0.83 PIK3CD (0.42) PDE1APDE1BPDE1CPIK3CDPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed