SCHEMBL6473873

SCHEMBL6473873

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(C(=O)O)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HRH1 P35367 2/20 0.40
ADRB2 P07550 1/20 0.40
CX3CR1 P49238 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TTR P02766 3/20 0.38
MAPT P10636 3/20 0.38
ESR1 P03372 2/20 0.38

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
SCHEMBL4412379 0.84 CHRM1 (0.54) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL3721172 0.84 CHRM1 (0.54) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL724698 0.82 CHRM2 (0.45) CHRM2CHRM1TTRMAPTESR1
SCHEMBL2431819 0.82 ALDH1A1 (0.40) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL722593 0.81 CHRM3 (0.38) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL2167352 0.81 CHRM3 (0.38) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL7752284 0.81 CHRM3 (0.38) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL11292328 0.80 TTR (0.40) HSP90AA1HSP90AB1CHRM2CHRM1TTR
SCHEMBL723430 0.80 MRGPRX4 (0.48) MAPTRXRAPOLBSMN1; SMN2HPGD
SCHEMBL3960558 0.80 MRGPRX4 (0.48) MAPTRXRAPOLBSMN1; SMN2HPGD

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