SCHEMBL7944253

SCHEMBL7944253

CN(C)CCOc1ccccc1-n1cc(-c2ccccc2)oc1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR1B P28222 1/20 0.40
CSF1R P07333 1/20 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
SCHEMBL7797241 0.79 ALDH1A1 (0.46) ALDH1A1KDM4E
SCHEMBL7805593 0.79 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6562176 0.76 ALDH1A1 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7805578 0.75 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL6560069 0.71 HTR7 (0.55) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7807349 0.69 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7946819 0.69 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6767953 0.68 HTR7 (0.45) HTR7ALDH1A1KDM4ESMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL6768275 0.68 HTR7 (0.44) HTR7ALDH1A1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL29904797 0.67 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2

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-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed