SCHEMBL7224273

SCHEMBL7224273

COc1cccc2c(C(=O)NC(CO)Cc3ccc(Cl)cc3)nn(CCN3CCOCC3)c12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.60
CNR1 P21554 4/20 0.59
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
ITGB1 P05556 1/20 0.44
ABCB1 P08183 2/20 0.43

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
SCHEMBL7218941 0.90 CNR2 (0.62) CNR2CNR1ITGA4ITGB7ITGB1
SCHEMBL7223438 0.86 CNR2 (0.65) CNR2CNR1
SCHEMBL7224514 0.85 CNR2 (0.65) CNR2CNR1
SCHEMBL7224453 0.84 CNR2 (0.73) CNR2CNR1
SCHEMBL7641363 0.83 CNR2 (0.69) CNR2CNR1ITGA4ITGB7ITGB1
SCHEMBL7223428 0.82 CNR2 (0.67) CNR2CNR1ITGA4ITGB7ITGB1
SCHEMBL7216870 0.82 CNR2 (0.66) CNR2CNR1
SCHEMBL7223586 0.82 CNR2 (0.66) CNR2CNR1
SCHEMBL7223587 0.81 CNR2 (0.70) CNR2CNR1
SCHEMBL7223599 0.81 CNR2 (0.70) 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