SCHEMBL6939848

SCHEMBL6939848

CC(C)N(CCC(c1ccccc1)c1cccs1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM1 P11229 3/20 0.48
HTR2A P28223 3/20 0.48
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.48
CHRM4 P08173 1/20 0.48
KCNE1 P15382 1/20 0.48
PTGS1 P23219 1/20 0.48
HRH2 P25021 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48

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
Hydrochloric Acid SCHEMBL27511741 0.98 HRH1 (0.47) HRH1CHRM2CHRM1HTR2ACHRM5
Hydrochloric Acid SCHEMBL6937904 0.85 POLB (0.38) HRH1CHRM2CHRM1HTR2ACHRM5
Hydrochloric Acid SCHEMBL6934707 0.85 HTR2A (0.45) HRH1CHRM2HTR2ALMNAMAPT
SCHEMBL27511398 0.83 MEN1 (0.44) HRH1CHRM2CHRM1HTR2ACHRM5
Hydrochloric Acid SCHEMBL6932201 0.82 MEN1 (0.43) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL6937275 0.81 CHRM2 (0.49) HRH1CHRM2CHRM1HTR2ACHRM5
Diisopromine SCHEMBL25648 0.81 HRH1 (0.63) HRH1CHRM2CHRM1HTR2ACHRM5
Diisopromine SCHEMBL11582569 0.79 HRH1 (0.61) HRH1CHRM2CHRM1HTR2ACHRM5
Hydrochloric Acid SCHEMBL27509210 0.79 MAPT (0.43) HRH1CHRM2CHRM1HTR2ACHRM5
Hydrochloric Acid SCHEMBL6939472 0.77 HRH1 (0.44) HRH1CHRM2CHRM1HTR2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed