SCHEMBL9225711

SCHEMBL9225711

CC(C)N(CCC(c1ccc(F)cc1)c1ccccc1O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 8/20 0.60
▸ CHRM2 P08172 3/20 0.60
▸ CHRM1 P11229 3/20 0.60
▸ HRH1 P35367 3/20 0.60
▸ CHRM5 P08912 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ CHRM4 P08173 1/20 0.60
▸ KCNE1 P15382 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ HRH2 P25021 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ KCNQ1 P51787 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ CACNA1C Q13936 1/20 0.60
▸ SCN5A Q14524 1/20 0.60

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
SCHEMBL4664069 0.90 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL6939192 0.90 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL4662582 0.90 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL9229989 0.88 CHRM3 (0.70) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL8858842 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1HRH1CHRM5
Hydrochloric Acid SCHEMBL3928143 0.84 CHRM3 (0.58) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL9225714 0.83 CHRM2 (0.47) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL4663902 0.83 CHRM3 (0.79) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL9230264 0.81 CHRM3 (0.64) CHRM3CHRM2CHRM1HRH1CHRM5
SCHEMBL23003666 0.81 TSHR (0.44) CHRM3CHRM2CHRM1HRH1CHRM5

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
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