SCHEMBL9142136

SCHEMBL9142136

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ncns1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
HDAC1 Q13547 2/20 0.46
PARP1 P09874 1/20 0.46
HSD11B1 P28845 1/20 0.44
RET P07949 2/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MAPK8 P45983 1/20 0.37
GRM2 Q14416 1/20 0.37
SPR P35270 1/20 0.35
SRC P12931 5/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL9142142 1.00 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9142139 1.00 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL1199139 0.81 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL12879207 0.81 GPR119 (0.47) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL31283824 0.80 GPR119 (0.51) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9140080 0.79 PARP1 (0.46) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9140076 0.79 PARP1 (0.46) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9141998 0.79 PARP1 (0.46) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9140087 0.79 PARP1 (0.46) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL9142006 0.79 PARP1 (0.46) GPR119HDAC1PARP1HSD11B1RET

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
US-5478939-A Muscarinic agents AMERICAN CYANAMID COMPANY (US) 1995-12-26 US claimed
US-5478939-A Muscarinic agents AMERICAN CYANAMID COMPANY (US) 1995-12-26 US disclosed