SCHEMBL8619670

SCHEMBL8619670

CC(C)Oc1c(C(O)CN(C)C)cccc1[S+](C)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.32
HIF1A Q16665 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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 0.79 ALDH1A1 (0.40) AOC3HIF1A
SCHEMBL8622608 0.79 ADRA2A (0.38) AOC3HIF1ACYP1A2CYP2C19
SCHEMBL8617649 0.78 AOC3 (0.48) AOC3HIF1ACYP1A2CYP2C19
SCHEMBL8619073 0.77 AOC3 (0.49) AOC3
SCHEMBL8619969 0.76 AOC3 (0.33) AOC3HIF1A
SCHEMBL8623204 0.74 ADRA2A (0.36) AOC3HIF1ACYP1A2CYP2C19
SCHEMBL8622440 0.67 AOC3 (0.44) AOC3HIF1ACYP1A2
SCHEMBL9172201 0.66 AOC3 (0.46) AOC3
SCHEMBL8617618 0.65 AOC3 (0.49) AOC3HIF1ACYP1A2CYP2C19
SCHEMBL8619834 0.65 AOC3 (0.42) AOC3HIF1ACYP1A2

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