SCHEMBL9832104

SCHEMBL9832104

CCC(C(=O)OC)(c1cccs1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
RIPK1 Q13546 1/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
APLNR P35414 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL9831337 0.87 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4RIPK1
SCHEMBL2652613 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4RIPK1
SCHEMBL9833154 0.78 MET (0.40) CHRM2CHRM1CHRM3CHRM4KDM4E
SCHEMBL9832437 0.77 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4RIPK1
SCHEMBL27843753 0.75 NR1H2 (0.55) CHRM2CHRM1CHRM3CHRM4NR1H2
SCHEMBL9832449 0.73 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4RIPK1
SCHEMBL9832277 0.73 TSHR (0.41) CHRM2CHRM1CHRM3CHRM4RIPK1
SCHEMBL4636677 0.73 CHRM3 (0.48) CHRM2CHRM1CHRM3CHRM4KDM4E
SCHEMBL7374418 0.73 NPSR1 (0.41) CHRM2CHRM1CHRM3CHRM4KDM4E
SCHEMBL826276 0.73 CHRM3 (0.49) CHRM2CHRM1CHRM3CHRM4GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed