SCHEMBL7302807

SCHEMBL7302807

CC(C)COCCCc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
IDO1 P14902 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7306319 0.97 HRH3 (0.33) KCNH2IDO1HRH3MEN1KMT2A
SCHEMBL7328315 0.89 KCNH2 (0.30) KCNH2MEN1KMT2A
SCHEMBL7302023 0.86 KCNH2 (0.30) KCNH2
SCHEMBL27620642 0.81 IDO1 (0.52) IDO1HRH3MEN1KMT2ATDP1
SCHEMBL19786365 0.80 SIGMAR1 (0.41) KCNH2HRH3MEN1KMT2A
SCHEMBL7297928 0.80 ADRB2 (0.34)
SCHEMBL19771037 0.80 KCNH2 (0.37) KCNH2
SCHEMBL3191931 0.79 RAB9A (0.41) KCNH2IDO1HRH3MEN1KMT2A
SCHEMBL7299847 0.79 MEN1 (0.33) KCNH2IDO1HRH3MEN1KMT2A
SCHEMBL27486126 0.78 USP2 (0.45) IDO1HRH3MEN1KMT2A

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