SCHEMBL2792045

SCHEMBL2792045

COc1ncc(-c2ccc(CCCC=O)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.39
AKT2 P31751 1/20 0.37
P2RX3 P56373 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAP4K4 O95819 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CHRM4 P08173 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
MAOB P27338 2/20 0.35
FLT3 P36888 1/20 0.34
CTSC P53634 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MCHR1 Q99705 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL2788621 0.80 RARB (0.35) AKT2FAAHCES1
SCHEMBL4039020 0.77 FFAR4 (0.48) FFAR4FAAHCES1
SCHEMBL2791168 0.76 RARB (0.34) AKT2CES1
SCHEMBL1844195 0.75 MKNK1 (0.50) FFAR4
SCHEMBL11894568 0.74 RARB (0.47)
SCHEMBL1687460 0.74 FTO (0.47) FTOP2RX3CASP3SENP8SENP7
SCHEMBL1272900 0.74 CALM1 (0.56) MAOB
Hydrochloric Acid SCHEMBL6614288 0.73 CALM1 (0.55) MAOB
SCHEMBL4421689 0.72 RARB (0.41)
SCHEMBL15453188 0.72 FFAR1 (0.50)

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO claimed