SCHEMBL8961537

SCHEMBL8961537

CNCCOc1cc(C)c(O)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1B P28222 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
CHRNA4 P43681 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.41
BLM P54132 1/20 0.41

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
Hydrochloric Acid SCHEMBL8924875 0.98 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1BMEN1
SCHEMBL10966124 0.94 HTR1B (0.43) ADRA1DADRA1AADRA1BHTR1BMEN1
SCHEMBL10706857 0.89 ADRA1D (0.48) ADRA1DADRA1AADRA1BMEN1KMT2A
Dimethylamine SCHEMBL11221773 0.83 ADRA1D (0.44) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL18272003 0.83 ADRA1D (0.50) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10671728 0.81 ADRA1D (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10641890 0.81 ADRA1D (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL28344355 0.80 ADRA1D (0.47) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL8925940 0.80 CYP1A2 (0.47) ADRA1DADRA1AADRA1BHTR1BMEN1
SCHEMBL5207072 0.79 ADRA1D (0.65) ADRA1DADRA1AADRA1BKMT2ACYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062596-B1 DERIVATIVES OF 4-AMINOETHOXY-5-ISOPROPYL-2-METHYL PHENOL, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES CORTIAL S.A. (FR) 1985-07-03 EP claimed
JP-56100745-A None JP disclosed
US-5561154-A MUSCLE RELAXANTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOQUES APPLIQUEES IRCEBA (FR) 1996-10-01 US disclosed
EP-0728479-A1 Deacetyl moxisylyte in the treatment of acute urinary retention INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (IRCEBA) (FR) 1996-08-28 EP disclosed
EP-0694300-A1 Treatment of impotence INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (IRCEBA) (FR) 1996-01-31 EP disclosed
US-5451609-A DEACETLY MOXISYLYTE INSTITUT DE RECHERCHES CHIMIQUES ET AL (FR) 1995-09-19 US disclosed
US-4818772-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS SOCIETE CORTIAL S.A. (FR) 1989-04-04 US disclosed
US-4721715-A Derivatives of 4-(arylpiperazinyl-ethylaminoethoxy) phenol useful for effecting hypolipidemic therapy or cardiovascular therapy SOCIETE CORTIAL, S.A. (FR) 1988-01-26 US disclosed
JP-S56100745-A 5- N-MONOALKYLAMINOETHOXY CARBACROL, ITS PREPARATION, AND DRUG COMPOSITION COMPRISING IT AS ACTIVE INGREDIENT FUJIREBIO INC 1981-08-12 JP disclosed