SCHEMBL7301723

SCHEMBL7301723

[c]1ccc(CCCOCCOCC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 6/20 0.38
ADRB1 P08588 2/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
ADRB2 P07550 1/20 0.34
GAA P10253 1/20 0.34
BLM P54132 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL7297442 0.97 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9686839 0.94 DRD2 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7298072 0.94 DRD2 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7299433 0.92 DRD2 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7333026 0.92 ADRB1 (0.41) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7331185 0.90 DRD2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7331550 0.90 DRD2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7306634 0.89 DRD2 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4621588 0.88 ADRB1 (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9686027 0.85 ADRB1 (0.40) SIGMAR1DRD2HTR2AHTR2CHTR2B

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