SCHEMBL8622720

SCHEMBL8622720

CC=COc1c(OC)cccc1C(O)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 3/20 0.40
UGCG Q16739 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL8622719 1.00 POLB (0.44) POLBKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8617655 0.81 POLB (0.47) POLBKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6551819 0.80 L3MBTL1 (0.52) KMT2AMEN1UGCGL3MBTL1IGF1R
SCHEMBL8618788 0.80 POLB (0.46) POLBKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8620885 0.71 ADRB2 (0.50) ALDH1A1CYP1A2CYP2D6KDM4EMAPT
Hydrochloric Acid SCHEMBL11273763 0.71 L3MBTL1 (0.46) POLBKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL5754000 0.69 ADRB2 (0.59) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL14858345 0.68 UGCG (0.52) KMT2AMEN1ALDH1A1UGCGDRD2
SCHEMBL8618033 0.68 L3MBTL1 (0.42) KMT2AMEN1L3MBTL1DRD2MAOB
SCHEMBL19043634 0.67 HTR1A (0.56) POLBDRD2DRD1ABCB1

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 4 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 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