SCHEMBL7724206

SCHEMBL7724206

CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OC(=O)C1CCCC1)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.72
CHRM1 P11229 3/20 0.72
CHRM3 P20309 7/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
CHRM5 P08912 2/20 0.42
HRH1 P35367 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM4 P08173 1/20 0.42
KCNE1 P15382 1/20 0.42
PTGS1 P23219 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL2167010 1.00 CHRM2 (0.72) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL2474222 0.99 CHRM2 (0.71) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL6481807 0.99 CHRM2 (0.71) CHRM2CHRM1CHRM3MAPTLMNA
SCHEMBL2167240 0.99 CHRM2 (0.71) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL6480321 0.98 CHRM2 (0.69) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL5961393 0.98 CHRM2 (0.69) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL5961395 0.97 CHRM2 (0.71) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL6480362 0.97 CHRM2 (0.71) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL6474682 0.95 CHRM2 (0.73) CHRM2CHRM1CHRM3MAPTLMNA
Hydrochloric Acid SCHEMBL5961412 0.95 CHRM2 (0.73) CHRM2CHRM1CHRM3MAPTLMNA

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-1230209-A2 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2002-08-14 EP disclosed
WO-2001035957-A1 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2001-05-25 WO disclosed