SCHEMBL5113681

SCHEMBL5113681

CC(=O)Oc1cccc(O)c1C1(C2CCN(CCC=C(C)C)C2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
SLC6A1 P30531 7/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5113690 0.88 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC6A1CYP1A2
SCHEMBL5113687 0.88 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC6A1CYP1A2
SCHEMBL5113968 0.77 CHRM5 (0.49) CHRM2CHRM1CHRM3CYP2D6OPRM1
SCHEMBL5129662 0.76 ALDH1A1 (0.46) TSHROPRD1OPRK1ALDH1A1LMNA
SCHEMBL5918459 0.71 OPRM1 (0.35) SLC6A1OPRM1OPRD1OPRK1
SCHEMBL5113973 0.66 CHRM5 (0.48) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL5113972 0.66 CHRM5 (0.48) CHRM2CHRM1CHRM3OPRM1OPRD1
SCHEMBL6180467 0.65 CHRM2 (0.37) CHRM2CHRM1CHRM3SLC6A1CYP1A2
SCHEMBL5129664 0.64 ALDH1A1 (0.45) TSHROPRD1OPRK1ALDH1A1LMNA
SCHEMBL5129667 0.64 ALDH1A1 (0.45) TSHROPRD1OPRK1ALDH1A1LMNA

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
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed