SCHEMBL7217548

SCHEMBL7217548

CCNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.79
CNR1 P21554 3/20 0.64
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 5/20 0.48
KDM4E B2RXH2 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL7218990 0.92 CNR2 (0.77) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224493 0.91 CNR2 (0.74) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224164 0.90 CNR2 (0.76) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7222291 0.90 CNR2 (0.73) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7217345 0.89 CNR2 (0.75) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7216911 0.89 CNR2 (0.84) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224486 0.89 CNR2 (0.75) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7223681 0.89 CNR2 (0.75) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7222564 0.89 CNR2 (0.72) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224225 0.89 CNR2 (0.72) CNR2CNR1KMT2AMEN1SMN1; SMN2

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