SCHEMBL7975124

SCHEMBL7975124

CCOC(=O)N1C2CCC1c1cc(CC(=O)O)sc1C2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GPR65 Q8IYL9 4/20 0.34
CHRM1 P11229 11/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
GRM5 P41594 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL7986925 0.88 CHRM2 (0.39) POLBGPR65CHRM1
SCHEMBL7989581 0.84 L3MBTL1 (0.36) GPR65CHRM1
SCHEMBL20425561 0.71 TSHR (0.45) POLBCHRM1CHRM4CHRM5GRM5
SCHEMBL8137379 0.70 KCNH2 (0.41) GPR65
SCHEMBL884784 0.69 CHRM1 (0.42) POLBCHRM1CHRM4CHRM5GRM5
SCHEMBL20425643 0.69 OPRM1 (0.40) POLBCHRM1CHRM4CHRM5GRM5
SCHEMBL2062840 0.69 GRM5 (0.37) CHRM1CHRM4CHRM5GRM5
SCHEMBL11360559 0.68 CHRM1 (0.36) GPR65CHRM1CHRM4CHRM5GRM5
SCHEMBL2061665 0.67 GPR65 (0.38) GPR65CHRM1CHRM4CHRM5GRM5
SCHEMBL11368483 0.67 GPR65 (0.34) GPR65CHRM1CHRM4CHRM5GRM5

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed