SCHEMBL7218690

SCHEMBL7218690

COc1cccc2c(C(=O)NCCC(C)(C)C)nn(CCN3CCOCC3)c12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.73
CNR1 P21554 3/20 0.59
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.48
RXFP1 Q9HBX9 5/20 0.47
HSD17B10 Q99714 1/20 0.46
ABCB1 P08183 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BCL3 P20749 1/20 0.45
TSHR P16473 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
SCHEMBL7217345 0.91 CNR2 (0.75) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7218990 0.90 CNR2 (0.77) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7223681 0.89 CNR2 (0.75) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224493 0.88 CNR2 (0.74) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7217548 0.88 CNR2 (0.79) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7222291 0.87 CNR2 (0.73) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224066 0.87 CNR2 (0.72) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7218580 0.86 CNR2 (0.72) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7224225 0.86 CNR2 (0.72) CNR2CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL7222524 0.86 CNR2 (0.75) 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