SCHEMBL9226703

SCHEMBL9226703

CCC(C)(C)N(C)CCC(c1ccccc1)c1cc(C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.44
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
MAPT P10636 3/20 0.44
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
HTR2A P28223 2/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM4 P08173 1/20 0.44
KCNE1 P15382 1/20 0.44
PTGS1 P23219 1/20 0.44
HRH2 P25021 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL9228915 0.91 ACHE (0.38) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL9228916 0.90 HRH1 (0.48) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL9230262 0.83 MAPT (0.40) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL9229450 0.82 ACHE (0.41) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL614300 0.80 CHRM2 (0.68) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL2522817 0.80 CHRM2 (0.68) HRH1CHRM2CHRM1MAPTCHRM5
SCHEMBL9228505 0.80 HRH1 (0.45) HRH1CHRM2CHRM1MAPTCHRM5
Bromide SCHEMBL2528600 0.79 CHRM2 (0.67) HRH1CHRM2CHRM1MAPTCHRM5
Bromide SCHEMBL2528597 0.79 CHRM2 (0.67) HRH1CHRM2CHRM1MAPTCHRM5
Hydrochloric Acid SCHEMBL615546 0.79 CHRM2 (0.67) HRH1CHRM2CHRM1MAPTCHRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP disclosed