SCHEMBL7586450

SCHEMBL7586450

CC(C)CCN(C(=O)c1ccc(OCc2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)C(=O)N(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.41
F2RL3 Q96RI0 1/20 0.40
BCHE P06276 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL6185231 0.89 GPR119 (0.40) GPR119F2RL3BCHEHRH3PPARG
SCHEMBL7588285 0.87 MAPT (0.45) GPR119NR1H2NR1H3
SCHEMBL7542094 0.81 HRH3 (0.39) GPR119F2RL3HRH3
SCHEMBL6183227 0.79 GPR119 (0.52) GPR119F2RL3HRH3PPARG
SCHEMBL6183250 0.78 MAPT (0.44) GPR119
SCHEMBL7586301 0.78 MAPT (0.56)
SCHEMBL6182175 0.77 GPR119 (0.51) GPR119F2RL3PPARG
SCHEMBL7544949 0.76 RAB9A (0.49)
SCHEMBL6183082 0.75 CTSS (0.46)
SCHEMBL6183679 0.75 GPR119 (0.43) GPR119F2RL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO disclosed