SCHEMBL9831337

SCHEMBL9831337

CCN(CC)C(CC)(C(=O)OC)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 1/20 0.42
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
KMT2A Q03164 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 4/20 0.36
RIPK1 Q13546 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 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
SCHEMBL9832104 0.87 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4NR1H2
SCHEMBL2652613 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL9832437 0.76 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL9832449 0.72 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4KMT2A
SCHEMBL7374418 0.72 NPSR1 (0.41) CHRM2CHRM1CHRM3CHRM4POLB
SCHEMBL2654268 0.72 ALDH1A1 (0.41) CHRM2CHRM1CHRM3CHRM4POLB
SCHEMBL826276 0.72 CHRM3 (0.49) CHRM2CHRM1CHRM3CHRM4POLB
SCHEMBL4636677 0.72 CHRM3 (0.48) CHRM2CHRM1CHRM3CHRM4POLB
SCHEMBL1234112 0.70 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4L3MBTL1
SCHEMBL11468485 0.70 RAB9A (0.41) CHRM2CHRM1CHRM3CHRM4POLB

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