SCHEMBL8619969

SCHEMBL8619969

CSc1cccc(C(O)CN(C)C)c1OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8619520 0.81 ALDH1A1 (0.40) AOC3HIF1A
SCHEMBL8622608 0.81 ADRA2A (0.38) AOC3HIF1A
SCHEMBL8617649 0.80 AOC3 (0.48) AOC3HIF1A
SCHEMBL8619073 0.79 AOC3 (0.49) AOC3
SCHEMBL8619670 0.76 AOC3 (0.32) AOC3HIF1A
SCHEMBL8623204 0.76 ADRA2A (0.36) AOC3HIF1AKMT2A
SCHEMBL8619658 0.69 AOC3 (0.40) AOC3HIF1AMEN1KMT2A
SCHEMBL8622440 0.69 AOC3 (0.44) AOC3HIF1A
SCHEMBL8617693 0.68 AOC3 (0.50) AOC3HIF1A
SCHEMBL9172201 0.68 AOC3 (0.46) AOC3

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 6 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
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