SCHEMBL29249586

SCHEMBL29249586

CC1CN(C(=O)OC(C)(C)C)C(C)CN1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GPR119 Q8TDV5 1/20 0.40
SETD7 Q8WTS6 2/20 0.39
NR1H2 P55055 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 1/20 0.37
MAP4K4 O95819 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 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
SCHEMBL12021385 1.00 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL24779803 1.00 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL27031154 0.94 TSHR (0.44) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL271429 0.89 TSHR (0.56) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL527701 0.89 TSHR (0.56) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL344752 0.89 TSHR (0.56) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL30591044 0.82 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL24685136 0.82 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL29942260 0.82 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2
SCHEMBL24684727 0.82 TSHR (0.50) TSHRGPR119SETD7NR1H2CHRM2

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-118302413-A Anti-SARS-CoV-2 medicine 国立大学法人鹿儿岛大学 2024-07-05 CN disclosed