SCHEMBL20300899

SCHEMBL20300899

CC1(C)N=C(c2nnc3c(F)c(F)ccc3n2)c2cccc(F)c2C1(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.31
PDE10A Q9Y233 4/20 0.31
BACE1 P56817 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL20301185 0.91 PDE2A (0.32) PDE2APDE10A
SCHEMBL20301369 0.90 PDE2A (0.32) PDE2APDE10A
SCHEMBL20301399 0.90
SCHEMBL20300999 0.89 HSD11B1 (0.31) HSD11B1
SCHEMBL20301239 0.89 PDE2A (0.32) PDE2APDE10ABACE1
SCHEMBL20301006 0.89 HSD11B1 (0.37) PDE2APDE10AHSD11B1
SCHEMBL20301404 0.83 MGAM (0.31) HSD11B1
SCHEMBL20300877 0.82
SCHEMBL20300971 0.82 PDE2A (0.30) PDE2APDE10A
SCHEMBL20301240 0.81 PDE2A (0.34) PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018116072-A1 HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2018-06-28 WO claimed
WO-2018116072-A1 HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2018-06-28 WO disclosed