SCHEMBL28870282

SCHEMBL28870282

CCOC1CCN(C(=N)N)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
F2 P00734 9/20 0.41
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PRSS1 P07477 8/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL3435947 0.82 GAA (0.47) GAANOS3NOS2ITGB3ITGA2B
SCHEMBL9382040 0.79 F2 (0.44) GAAF2CPN1CPB2TPSAB1
SCHEMBL9059898 0.79 F2 (0.44) GAAF2CPN1CPB2TPSAB1
SCHEMBL28851673 0.78 GAA (0.42) GAANOS3NOS2ITGB3ITGA2B
SCHEMBL4572154 0.76 MAPT (0.44) GAANOS3NOS2
SCHEMBL17672505 0.76 GAA (0.41) GAANOS3NOS2CHRM1
SCHEMBL20900695 0.76 CPN1 (0.47) GAACPN1CPB2NOS3NOS2
SCHEMBL13245891 0.74 EPHX2 (0.47) GAA
SCHEMBL24158928 0.74 GAA (0.40) GAATPSAB1TPSD1TPSG1NOS3
SCHEMBL15888619 0.74 PIK3CA (0.34)

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
CN-109415381-A Thiazolopyridine derivatives as GPR119 agonist 人类制药有限公司 2019-03-01 CN disclosed