SCHEMBL9230264

SCHEMBL9230264

CC(C)N(CCC(c1ccccc1)c1cccc(O)c1O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.64
HRH1 P35367 4/20 0.64
CHRM2 P08172 3/20 0.64
CHRM1 P11229 3/20 0.64
HTR2A P28223 3/20 0.64
CHRM5 P08912 2/20 0.64
MAPT P10636 2/20 0.64
SLC6A4 P31645 2/20 0.64
LMNA P02545 1/20 0.64
ESR1 P03372 1/20 0.64
CHRM4 P08173 1/20 0.64
KCNE1 P15382 1/20 0.64
PTGS1 P23219 1/20 0.64
HRH2 P25021 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRK1 P41145 1/20 0.64
KCNQ1 P51787 1/20 0.64
KCNH2 Q12809 1/20 0.64
CACNA1C Q13936 1/20 0.64
SCN5A Q14524 1/20 0.64

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
SCHEMBL6939192 0.91 CHRM3 (0.72) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL4662582 0.91 CHRM3 (0.72) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL4664069 0.91 CHRM3 (0.72) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL9229989 0.89 CHRM3 (0.70) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL8858842 0.82 CHRM3 (0.60) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL9225711 0.81 CHRM3 (0.60) CHRM3HRH1CHRM2CHRM1HTR2A
Hydrochloric Acid SCHEMBL3928143 0.81 CHRM3 (0.58) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL27745393 0.81 CHRM3 (0.59) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL27745390 0.81 CHRM3 (0.59) CHRM3HRH1CHRM2CHRM1HTR2A
SCHEMBL9223198 0.81 KDM4E (0.47) CHRM3HRH1CHRM2CHRM1HTR2A

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