SCHEMBL4733628

SCHEMBL4733628

CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 1.00
CNR1 P21554 8/20 0.92
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL4732527 0.96 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4732987 0.96 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4732451 0.95 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4729115 0.88 CNR2 (0.78) CNR2CNR1PDCD1CD274
SCHEMBL4732972 0.86 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4733250 0.86 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4732822 0.85 CNR2 (0.83) CNR2CNR1PDCD1CD274
SCHEMBL4732566 0.83 CNR2 (0.78) CNR2CNR1PDCD1CD274
SCHEMBL4732019 0.82 CNR2 (0.70) CNR2CNR1PDCD1CD274
SCHEMBL4730790 0.82 CNR2 (0.82) CNR2CNR1PDCD1CD274

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-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed