SCHEMBL7223185

SCHEMBL7223185

CCN(CC)CCCNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.70
CNR1 P21554 3/20 0.59
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 4/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ABCB1 P08183 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7222984 0.95 CNR2 (0.72) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7224493 0.91 CNR2 (0.74) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7222291 0.90 CNR2 (0.73) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7224225 0.90 CNR2 (0.72) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7218990 0.89 CNR2 (0.77) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7217327 0.88 CNR2 (0.68) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7221735 0.88 CNR2 (0.72) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7217548 0.87 CNR2 (0.79) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7223681 0.87 CNR2 (0.75) CNR2CNR1KMT2AMEN1KDM4E
SCHEMBL7222333 0.86 CNR2 (0.72) CNR2CNR1KMT2AMEN1KDM4E

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