SCHEMBL9284660

SCHEMBL9284660

CCN(CC)CCCNC(CCCCCCCCC(C)O)n1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.40
ACHE P22303 2/20 0.39
PIK3CD O00329 1/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NTSR1 P30989 1/20 0.39
MC3R P41968 1/20 0.39
NOTUM Q6P988 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
GDA Q9Y2T3 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TNF P01375 4/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2039820 0.90 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL9279475 0.90 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL8804033 0.90 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL9276567 0.90 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL28454 0.90 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL9389745 0.89 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL9385319 0.84 ADORA2B (0.41) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL2733652 0.83 ADORA2B (0.42) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL8978234 0.81 ADORA2B (0.41) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL9279704 0.79 ADORA2B (0.38) ADORA2BACHEPIK3CDPOLBADORA3

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
WO-1995013808-A1 METHOD FOR SELECTIVELY INHIBITING IL-2 SIGNAL TRANSDUCTION CELL THERAPEUTICS, INC. (US) 1995-05-26 WO disclosed