SCHEMBL7223587

SCHEMBL7223587

CC[C@@H](C)NC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.70
CNR1 P21554 4/20 0.68
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL7222973 1.00 CNR2 (0.70) CNR2CNR1MEN1KMT2A
SCHEMBL7224453 0.93 CNR2 (0.73) CNR2CNR1
SCHEMBL7223599 0.91 CNR2 (0.70) CNR2CNR1
SCHEMBL7641363 0.90 CNR2 (0.69) CNR2CNR1
SCHEMBL7223586 0.89 CNR2 (0.66) CNR2CNR1
SCHEMBL7226554 0.89 CNR2 (0.68) CNR2CNR1MEN1KMT2A
SCHEMBL7217214 0.89 CNR2 (0.68) CNR2CNR1MEN1KMT2A
SCHEMBL7217332 0.89 CNR2 (0.68) CNR2CNR1MEN1KMT2A
SCHEMBL7224604 0.88 CNR2 (0.73) CNR2CNR1
SCHEMBL7224325 0.88 CNR2 (0.73) 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