SCHEMBL6907465

SCHEMBL6907465

CC(=O)c1cccc(CN(C)Cc2ccc(C(C)(C)c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
ACHE P22303 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN1 P18031 1/20 0.44
BCHE P06276 2/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
PPARG P37231 1/20 0.42
PYCR1 P32322 1/20 0.42

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
SCHEMBL6911891 0.88 SIGMAR1 (0.49) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL6910481 0.87 MEN1 (0.44) TMEM97SIGMAR1ACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL6911142 0.86 MEN1 (0.44) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL8818924 0.81 ACHE (0.60) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL6914483 0.78 SIGMAR1 (0.47) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL6912986 0.75 HDAC8 (0.47) ACHEBCHEPPARG
SCHEMBL6911131 0.75 SIGMAR1 (0.37) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL6915496 0.75 ACHE (0.49) TMEM97SIGMAR1ACHEMEN1KMT2A
SCHEMBL6905694 0.74 OPRK1 (0.46) MEN1KMT2APTPN1MAOBALDH1A1
Hydrochloric Acid SCHEMBL6912379 0.74 SIGMAR1 (0.37) TMEM97SIGMAR1ACHEMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 EP disclosed