SCHEMBL9728877

SCHEMBL9728877

Cc1cnc2c(C(=O)N=CN(C)C)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.46
HSD11B1 P28845 3/20 0.41
PDE10A Q9Y233 4/20 0.38
PDE3A Q14432 1/20 0.38
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9728907 0.79 SMPD3 (0.48) HSD11B1
SCHEMBL9729081 0.79 SMPD3 (0.48) HSD11B1
SCHEMBL310126 0.77 PDE2A (0.59) PDE2AHSD11B1PDE10APDE3A
SCHEMBL21326698 0.74 PDE2A (0.53) PDE2AHSD11B1PDE10APDE3A
SCHEMBL19045790 0.72 PDE2A (0.57) PDE2AHSD11B1PDE10APDE3A
SCHEMBL17781274 0.70 KDM4E (0.57) PDE2APDE10APDE3ARECQL
SCHEMBL9877202 0.67 TLR8 (0.67) PDE3A
SCHEMBL9728825 0.67 TLR8 (0.67) PDE3A
SCHEMBL9728973 0.66 CLK4 (0.61)
SCHEMBL9728968 0.66 CLK4 (0.61)

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-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US claimed