SCHEMBL7755589

SCHEMBL7755589

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)NCCCCNC(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.60
CHRM1 P11229 3/20 0.60
CHRM3 P20309 11/20 0.39
ADRB2 P07550 10/20 0.39
CHRM5 P08912 2/20 0.36
HRH1 P35367 2/20 0.36
CX3CR1 P49238 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM4 P08173 1/20 0.36
MAPT P10636 1/20 0.36
KCNE1 P15382 1/20 0.36
PTGS1 P23219 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL2167075 0.90 CHRM2 (0.73) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL4398908 0.85 CHRM2 (0.48) CHRM2CHRM1MAPTCES2
SCHEMBL2166659 0.85 CHRM2 (0.74) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL7580032 0.85 CHRM2 (0.68) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL7756404 0.81 CHRM2 (0.48) CHRM2CHRM1FAAHLMNAMAPT
SCHEMBL6759380 0.81 CHRM2 (0.60) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL4659036 0.79 CHRM2 (0.51) CHRM2CHRM1MAPT
SCHEMBL4660409 0.79 CHRM2 (0.51) CHRM2CHRM1MAPT
SCHEMBL2169511 0.79 CHRM2 (0.70) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL7555814 0.79 CHRM2 (0.82) CHRM2CHRM1CHRM3ADRB2CHRM5

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-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed