SCHEMBL6180467

SCHEMBL6180467

CC(C)=CCCN1CC[C@@H](CC(=O)Oc2cccc(C3CCCC3)c2O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LTA4H P09960 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SLC6A1 P30531 5/20 0.35
USP30 Q70CQ3 1/20 0.35
DRD3 P35462 1/20 0.34
RBP4 P02753 2/20 0.33
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

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
SCHEMBL5116052 0.81 DRD2 (0.51) LTA4HDRD2DRD4
SCHEMBL4889901 0.76 PTGDR2 (0.38) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL5115681 0.74 TACR3 (0.52) DRD2DRD4RBP4TSHR
SCHEMBL5145288 0.71 SLC6A2 (0.40) CHRM1SLC6A1DRD3CYP1A2CYP2D6
SCHEMBL3681668 0.70 PTGDR2 (0.46) CHRM1DRD3CYP1A2CYP2D6CYP2C9
SCHEMBL4887368 0.70 CHRM2 (0.33) CHRM2CHRM1CHRM3SLC6A1DRD3
SCHEMBL5113690 0.69 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC6A1CYP1A2
SCHEMBL5113687 0.69 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC6A1CYP1A2
SCHEMBL10938940 0.66 SIGMAR1 (0.60) LTA4HSLC6A1CYP1A2CYP2D6CYP2C9
SCHEMBL10939408 0.65 LTA4H (0.52) LTA4HSLC6A1CYP1A2CYP2D6CYP2C9

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
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed