SCHEMBL8622440

SCHEMBL8622440

CCN(C)CC(O)c1cccc(Cl)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.44
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MC4R P32245 1/20 0.33
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 2/20 0.32
HIF1A Q16665 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.31
NISCH Q9Y2I1 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
SCHEMBL8619834 0.88 AOC3 (0.42) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8617649 0.87 AOC3 (0.48) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8617618 0.74 AOC3 (0.49) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9387419 0.74 AOC3 (0.37) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL13408062 0.72 CYP1A2 (0.42) ADRA2AADRA2BADRA2CSLC6A4HTR1A
SCHEMBL8618033 0.72 L3MBTL1 (0.42) ADRB2ADRB1
SCHEMBL8622608 0.71 ADRA2A (0.38) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8619520 0.71 ALDH1A1 (0.40) AOC3ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8618831 0.70 AOC3 (0.44) AOC3ADRA2BOPRK1KCNH2MC4R
SCHEMBL17755155 0.70 SLC6A4 (0.47) ADRA2AADRA2BADRA2CSLC6A4HTR1A

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 8 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
EP-0651735-A1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES Pharmacia & Upjohn Aktiebolag (SE) 1995-05-10 EP disclosed
WO-1994002442-A1 PHARMACOLOGICALLY ACTIVE α-[TERTIARY-AMINOMETHYL]-BENZENEMETHANOL DERIVATIVES PHARMACIA AB (SE) 1994-02-03 WO disclosed