SCHEMBL5800705

SCHEMBL5800705

CC(C)N(C)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.57
CNR1 P21554 3/20 0.54
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3920731 0.85 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL3977378 0.85 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL3980081 0.84 CNR2 (0.60) CNR2CNR1KCNH2
SCHEMBL13876938 0.84 CNR2 (0.59) CNR2CNR1KCNH2
SCHEMBL3981842 0.80 CNR2 (0.58) CNR2CNR1KCNH2
SCHEMBL3920938 0.80 CNR2 (0.64) CNR2CNR1KCNH2
SCHEMBL4965871 0.79 CNR2 (0.59) CNR2CNR1KCNH2
Hydrochloric Acid SCHEMBL4968170 0.79 CNR2 (0.63) CNR2CNR1KCNH2
SCHEMBL3971110 0.78 CNR2 (0.60) CNR2CNR1KCNH2
SCHEMBL3760023 0.78 CNR2 (0.65) CNR2KCNH2

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
WO-2006065967-A2 ALLOSTERIC ENZYME COUPLED IMMUNOASSAY (AECIA) GENERAL ATOMICS (US) 2006-06-22 WO disclosed