SCHEMBL7755082

SCHEMBL7755082

CCCCOCc1ccc(O)c(C(CC)c2cccc(N(C(C)C)C(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
TYR P14679 2/20 0.35
ACHE P22303 2/20 0.35
ADRB2 P07550 6/20 0.35
CHRM3 P20309 5/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNE1 P15382 1/20 0.33
PTGS1 P23219 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL7756317 0.94 BCHE (0.36) BCHETYRACHEADRB2CHRM3
SCHEMBL7758295 0.89 BCHE (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL7752344 0.83 BCHE (0.36) BCHETYRACHEADRB2CHRM3
SCHEMBL722593 0.82 CHRM3 (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL2167352 0.82 CHRM3 (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL7752284 0.82 CHRM3 (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL11295974 0.82 ALDH1A1 (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL4189998 0.80 MAPT (0.38) BCHETYRACHEADRB2CHRM3
SCHEMBL7758289 0.80 MAPT (0.41) LMNAMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL15559016 0.79 THRA (0.34) BCHETYRACHEADRB2CHRM3

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