SCHEMBL7305182

SCHEMBL7305182

C=CCOc1ccccc1OCC(O)CNCCOc1ccc(C2=NNC(=O)CC2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
ADRB2 P07550 6/20 0.43
ADRB1 P08588 3/20 0.43
HTR1A P08908 3/20 0.43
CYP1A2 P05177 2/20 0.43
SLC22A1 O15245 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
ADRB3 P13945 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 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
SCHEMBL7303255 0.92 GPR119 (0.42) ADRB2ADRB1HTR1ACYP1A2SLC22A1
SCHEMBL7328370 0.86 HRH3 (0.47) HRH3ADRB2ADRB1HTR1ACYP1A2
SCHEMBL7299789 0.86 ADRB1 (0.49) HRH3ADRB2ADRB1HTR1ACYP1A2
SCHEMBL7335463 0.85 HRH3 (0.54) HRH3ADRB2ADRB1CYP1A2LMNA
SCHEMBL7306614 0.82 ADRB1 (0.52) HRH3ADRB2ADRB1HTR1ACYP1A2
SCHEMBL7305060 0.82 PDE3B (0.43) ADRB2ADRB1HTR1ACYP1A2SLC22A1
SCHEMBL7305054 0.82 SLC22A1 (0.39) ADRB2ADRB1HTR1ACYP1A2SLC22A1
SCHEMBL9686104 0.81 HRH3 (0.43) HRH3ADRB2ADRB1HTR1ACYP1A2
SCHEMBL7304714 0.81 HRH3 (0.46) HRH3ADRB2ADRB1MAPTSMN1; SMN2
SCHEMBL7329284 0.79 GPR119 (0.45) ADRB2ADRB1HTR1ACYP1A2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed