SCHEMBL8619658

SCHEMBL8619658

COc1cccc(C(O)CN(C)C)c1SC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.40
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 2/20 0.34
HTR2A P28223 2/20 0.34
HIF1A Q16665 1/20 0.34
BCHE P06276 1/20 0.34
TYR P14679 1/20 0.34
ACHE P22303 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL8618802 0.86 AOC3 (0.39) AOC3MEN1KMT2AADRA2AADRA1A
SCHEMBL8619983 0.86 AOC3 (0.39) AOC3MEN1KMT2AADRA2AADRA1A
SCHEMBL8617693 0.79 AOC3 (0.50) AOC3CYP2D6HIF1A
SCHEMBL8619073 0.75 AOC3 (0.49) AOC3ALDH1A1HTR2A
SCHEMBL27250139 0.74 LPAR1 (0.42) MEN1KMT2AALDH1A1HIF1AACHE
SCHEMBL9172201 0.72 AOC3 (0.46) AOC3ALDH1A1HTR2ABCHETYR
Hydrochloric Acid SCHEMBL11275802 0.71 AOC3 (0.45) AOC3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL8619187 0.71 AOC3 (0.45) AOC3MEN1KMT2AADRA1AALDH1A1
SCHEMBL5340091 0.71 SLC6A4 (0.50) HTR2A
SCHEMBL4311047 0.71 CA1 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651735-B1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES PHARMACIA & UPJOHN AB (SE) 1998-05-20 EP claimed
US-5527821-A FOR TREATMENT OF URINARY INCONTINENCE PHARMACIA AB (SE) 1996-06-18 US claimed
EP-0651735-A1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES Pharmacia & Upjohn Aktiebolag (SE) 1995-05-10 EP claimed
WO-1994002442-A1 PHARMACOLOGICALLY ACTIVE α-[TERTIARY-AMINOMETHYL]-BENZENEMETHANOL DERIVATIVES PHARMACIA AB (SE) 1994-02-03 WO claimed
EP-0651735-B1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES PHARMACIA & UPJOHN AB (SE) 1998-05-20 EP disclosed
US-5527821-A FOR TREATMENT OF URINARY INCONTINENCE PHARMACIA AB (SE) 1996-06-18 US disclosed
WO-1994002442-A1 PHARMACOLOGICALLY ACTIVE α-[TERTIARY-AMINOMETHYL]-BENZENEMETHANOL DERIVATIVES PHARMACIA AB (SE) 1994-02-03 WO disclosed