SCHEMBL8963410

SCHEMBL8963410

CC[CH]OC(C)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL16115650 0.86 LMNA (0.32)
SCHEMBL443270 0.80 DNM1 (0.33) DNM1ADRB2ADRB1ADRB3ATM
SCHEMBL292814 0.78 TSHR (0.36) DNM1ADRB2ADRB1ADRB3ATM
SCHEMBL828246 0.78 ADH1B (0.35) DNM1ADRB2ADRB1ADRB3ATM
SCHEMBL115527 0.78 LMNA (0.47) DNM1ADRB2ADRB1ADRB3ATM
SCHEMBL8974739 0.77 DNM1 (0.31) DNM1ADRB2ADRB1ADRB3
SCHEMBL10636666 0.77 DNM1 (0.31) DNM1ADRB2ADRB1ADRB3
SCHEMBL2021110 0.77
SCHEMBL30539136 0.76 LMNA (0.45) DNM1ADRB2ADRB1ADRB3ATM
SCHEMBL6122979 0.74 ADRB2 (0.39) DNM1ADRB2ADRB1ADRB3ATM

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-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP disclosed
EP-0463995-B1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP disclosed
US-5196521-A Colorfastness; red; polyesters CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO disclosed
EP-0463995-A1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed