SCHEMBL6480309

SCHEMBL6480309

CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)c1ccc(OC(=O)C(C)(C)C)cc1)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.67
CHRM1 P11229 3/20 0.67
ELANE P08246 11/20 0.42
CHRM3 P20309 6/20 0.39
ADRB2 P07550 5/20 0.39
CHRM5 P08912 2/20 0.39
HRH1 P35367 2/20 0.39
CX3CR1 P49238 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM4 P08173 1/20 0.39
MAPT P10636 1/20 0.39
KCNE1 P15382 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
Hydrochloric Acid SCHEMBL6482180 0.99 CHRM2 (0.66) CHRM2CHRM1ELANECHRM3ADRB2
Hydrochloric Acid SCHEMBL5961409 0.99 CHRM2 (0.66) CHRM2CHRM1ELANECHRM3ADRB2
SCHEMBL2167828 0.91 CHRM2 (0.77) CHRM2CHRM1ELANECHRM3ADRB2
Hydrochloric Acid SCHEMBL5961415 0.91 CHRM2 (0.57) CHRM2CHRM1ELANECHRM3ADRB2
SCHEMBL7758391 0.89 CHRM2 (0.72) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL2167563 0.89 CHRM2 (0.72) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL2168552 0.89 CHRM2 (0.80) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL2167951 0.89 CHRM2 (0.80) CHRM2CHRM1CHRM3ADRB2CHRM5
Hydrochloric Acid SCHEMBL6473184 0.88 CHRM2 (0.80) CHRM2CHRM1ELANECHRM3ADRB2
Hydrochloric Acid SCHEMBL6474425 0.88 CHRM2 (0.67) CHRM2CHRM1ELANECHRM3ADRB2

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-6858650-B1 For therapy of urinary incontinence SCHWARZ PHARMA AG (DE) 2005-02-22 US disclosed