SCHEMBL9230262

SCHEMBL9230262

COc1ccccc1C(CCN(C)C(C)(C)C)c1cc(C)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNE1 P15382 1/20 0.40
CHRM3 P20309 1/20 0.40
PTGS1 P23219 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL9229450 0.95 ACHE (0.41) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9228916 0.92 HRH1 (0.48) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9226280 0.89 MEN1 (0.44) MAPTHTR2AHRH1TSHRMEN1
SCHEMBL9224556 0.86 SLC6A2 (0.42) MAPTLMNASLC6A4KCNH2TSHR
SCHEMBL9228505 0.84 HRH1 (0.45) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9223145 0.83 HTR2A (0.47) HTR2AHRH1MEN1KMT2AKDM4E
SCHEMBL9228915 0.83 ACHE (0.38) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9227827 0.83 MAPT (0.55) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9226703 0.83 HRH1 (0.44) MAPTLMNAESR1CHRM2CHRM4
SCHEMBL9226011 0.79 TSHR (0.43) MAPTLMNATSHRMEN1KMT2A

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