SCHEMBL8617655

SCHEMBL8617655

COc1cccc(C(O)CN2CCCC2)c1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 3/20 0.42

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
SCHEMBL8620885 0.89 ADRB2 (0.50) ALDH1A1CYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL6551819 0.83 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1UGCGIGF1R
SCHEMBL8618033 0.83 L3MBTL1 (0.42) MEN1KMT2ADRD2L3MBTL1
SCHEMBL8622719 0.81 POLB (0.44) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8622720 0.81 POLB (0.44) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8618788 0.81 POLB (0.46) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8619076 0.79 ADRA2A (0.50) MEN1KMT2AALDH1A1DRD2ADRA2B
SCHEMBL8619073 0.76 AOC3 (0.49) ALDH1A1DRD2ADRA2BDRD1HTR2A
SCHEMBL8618831 0.74 AOC3 (0.44) KMT2AALDH1A1CYP1A2CYP2D6DRD2
SCHEMBL9173207 0.74 ALDH1A1 (0.44) ALDH1A1DRD2ADRA2BDRD1HTR2A

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