SCHEMBL9686839

SCHEMBL9686839

[c]1ccc(CCCOCCOCC2CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SPHK1 Q9NYA1 8/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37

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
SCHEMBL7298072 0.97 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7331550 0.97 DRD2 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7299433 0.95 DRD2 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7301723 0.94 SIGMAR1 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7331185 0.94 DRD2 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7306634 0.92 DRD2 (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9686027 0.92 ADRB1 (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7297442 0.90 SIGMAR1 (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7303810 0.89 ADRB1 (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7303225 0.89 ADRB1 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1

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 1 patent. 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