SCHEMBL6182068

SCHEMBL6182068

c1cc2c(cc1CCN1CC[C@@H](C3CCCC3)C1)CCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.57
HTR2B P41595 2/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
ADRB1 P08588 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
KCNE1 P15382 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
HRH2 P25021 1/20 0.57
HTR2A P28223 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNQ1 P51787 1/20 0.57

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
SCHEMBL5918309 1.00 SLC6A4 (0.57) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL6182063 0.87 SLC6A4 (0.54) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL5918305 0.84 SLC6A4 (0.58) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL2774716 0.83 CHRM5 (0.61) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL3949670 0.83 CHRM5 (0.61) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL2773429 0.83 CHRM5 (0.61) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL3950616 0.83 CHRM5 (0.61) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL5918375 0.81 ADRA1D (0.46) ADRA1AHRH3SIGMAR1
SCHEMBL13653686 0.81 SIGMAR1 (0.53) SLC6A4HTR2BADRB2CHRM2CHRM4
SCHEMBL2774155 0.78 SLC6A4 (0.56) SLC6A4HTR2BADRB2CHRM2CHRM4

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 claimed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO claimed