SCHEMBL7223393

SCHEMBL7223393

COc1cccc2c(C(=O)N[C@H](C#N)Cc3ccccc3)nn(CCN3CCOCC3)c12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.65
CNR1 P21554 4/20 0.65
CTSS P25774 1/20 0.46
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL7641363 0.88 CNR2 (0.69) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7223428 0.88 CNR2 (0.67) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7224319 0.87 CNR2 (0.71) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7216957 0.87 CNR2 (0.69) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7218675 0.86 CNR2 (0.65) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7224514 0.86 CNR2 (0.65) CNR2CNR1
SCHEMBL7218743 0.85 CNR2 (0.70) CNR2CNR1ITGB1ITGA4ITGB7
SCHEMBL7217146 0.85 CNR2 (0.59) CNR2CNR1
SCHEMBL7224453 0.84 CNR2 (0.73) CNR2CNR1
SCHEMBL7216911 0.84 CNR2 (0.84) CNR2CNR1

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed