SCHEMBL9836718

SCHEMBL9836718

CC#CCCn1ncc2c(N)c(C(=O)OCC)cnc21

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48

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
SCHEMBL9836698 0.87 MAPT (0.49) PDE4B
SCHEMBL9836700 0.85
SCHEMBL9838383 0.84
SCHEMBL8228061 0.84 PDE4B (0.65) PDE4B
SCHEMBL1059182 0.83
SCHEMBL10958297 0.82 PDE4B (0.56) PDE4B
SCHEMBL1053229 0.82
SCHEMBL1081414 0.81
SCHEMBL2457450 0.80 NPC1 (0.61) PDE4B
SCHEMBL9838441 0.80

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
EP-0180318-B1 AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-11-06 EP disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
EP-0180318-A1 Amide derivatives ICI AMERICAS INC. (US) 1986-05-07 EP disclosed