SCHEMBL9140076

SCHEMBL9140076

Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
HSD11B1 P28845 1/20 0.42
HDAC1 Q13547 2/20 0.41
CCR2 P41597 3/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
GRM2 Q14416 1/20 0.37
RET P07949 2/20 0.36
SPR P35270 1/20 0.35
DPP4 P27487 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL9140080 1.00 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9140087 1.00 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9142006 1.00 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9141998 1.00 PARP1 (0.46) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9142139 0.79 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9142136 0.79 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL9142142 0.79 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL21738004 0.77 PARP1 (0.44) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL21737995 0.77 PARP1 (0.44) PARP1GPR119HSD11B1HDAC1CCR2
SCHEMBL1199139 0.76 GPR119 (0.47) PARP1GPR119HSD11B1HDAC1CCR2

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