SCHEMBL9013386

SCHEMBL9013386

CC(C)(C)OC(=O)C1CCN(C=O)C1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RECQL P46063 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL428908 0.79 HRH3 (0.37) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL584545 0.79 HRH3 (0.37) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL5822210 0.76 HSD17B10 (0.39) HPGDCHRM2CHRM1CHRM3RECQL
SCHEMBL27786683 0.73 HRH3 (0.35) HRH3HPGDCHRM2CHRM1CHRM3
SCHEMBL9289509 0.71 HSD17B10 (0.43) HRH3HPGDEPHX1
SCHEMBL18626075 0.71 HSD17B10 (0.43) HRH3HPGDEPHX1
SCHEMBL6381111 0.71 HSD17B10 (0.43) HRH3HPGDEPHX1
SCHEMBL6646539 0.70 HSD17B10 (0.39) HRH3HPGDEPHX1
SCHEMBL18541279 0.68 GABRR1 (0.42) HRH3CHRM2CHRM1CHRM3
SCHEMBL21483550 0.68 GABRR1 (0.42) HRH3CHRM2CHRM1CHRM3

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
JP-8245577-A None JP disclosed
JP-H08245577-A 3-AMINOPYRROLIDINE DERIVATIVE TOKUYAMA CORP 1996-09-24 JP disclosed