SCHEMBL27636216

SCHEMBL27636216

CC(C=O)C1(c2ccccc2)CCN(c2nncc3c(-c4ccc(F)cc4)n(-c4ccccc4Cl)nc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
CNR1 P21554 18/20 0.37
CNR2 P34972 2/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL27636276 0.94 CNR1 (0.42) ADORA3ADORA1CNR1CNR2
SCHEMBL27636190 0.89 CNR1 (0.40) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5370878 0.84 CNR1 (0.47) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5368810 0.84 CNR1 (0.41) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL27636275 0.83 CNR1 (0.42) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5379203 0.80 CNR1 (0.41) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5372895 0.79 CNR1 (0.41) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5373533 0.79 CNR1 (0.39) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5375545 0.78 ADORA3 (0.46) ADORA3ADORA1CNR1CNR2KCNH2
SCHEMBL5372812 0.78 CNR1 (0.42) ADORA3ADORA1CNR1CNR2KCNH2

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
CN-1805963-A Cannabinoid receptor ligands and uses thereof PFIZER (US) 2006-07-19 CN disclosed