SCHEMBL7306319

SCHEMBL7306319

CC(C)COCCOCCCc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 3/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH1 P35367 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL7302807 0.97 KCNH2 (0.33) HRH3MEN1KMT2AKCNH2IDO1
SCHEMBL7302023 0.90 KCNH2 (0.30) KCNH2
SCHEMBL7328315 0.86 KCNH2 (0.30) MEN1KMT2AKCNH2ALDH1A1LMNA
SCHEMBL7299847 0.83 MEN1 (0.33) HRH3MEN1KMT2AKCNH2USP2
SCHEMBL7298071 0.81 SMN1; SMN2 (0.39) HRH3MEN1KMT2AKCNH2USP2
SCHEMBL7294672 0.81 CYP3A4 (0.46) HRH3MEN1KMT2AUSP2ALDH1A1
SCHEMBL7297928 0.81 ADRB2 (0.34)
SCHEMBL7297414 0.81 MEN1 (0.36) HRH3MEN1KMT2AKCNH2USP2
SCHEMBL7333223 0.81 MEN1 (0.40) HRH3MEN1KMT2AKCNH2USP2
SCHEMBL7298307 0.79 ALDH1A1 (0.45) HRH3MEN1KMT2AUSP2ALDH1A1

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