SCHEMBL6910481

SCHEMBL6910481

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
ACHE P22303 5/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.38
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL6911142 0.99 MEN1 (0.44) MEN1KMT2AMAPTNPSR1SIGMAR1
SCHEMBL6915496 0.88 ACHE (0.49) MEN1KMT2AMAPTNPSR1SIGMAR1
SCHEMBL6907465 0.87 TMEM97 (0.46) MEN1KMT2ASIGMAR1TMEM97ACHE
Hydrochloric Acid SCHEMBL6914315 0.87 SIGMAR1 (0.48) MEN1KMT2AMAPTNPSR1SIGMAR1
SCHEMBL6911131 0.85 SIGMAR1 (0.37) MEN1KMT2AMAPTNPSR1SIGMAR1
Hydrochloric Acid SCHEMBL6912379 0.84 SIGMAR1 (0.37) MEN1KMT2AMAPTNPSR1SIGMAR1
SCHEMBL5167343 0.79 MAOA (0.49) SIGMAR1TMEM97ACHENR1I2LMNA
SCHEMBL8818924 0.75 ACHE (0.60) MEN1KMT2ASIGMAR1TMEM97ACHE
SCHEMBL6911664 0.75 ACHE (0.47) MEN1KMT2ASIGMAR1TMEM97ACHE
SCHEMBL6912895 0.75 HDAC8 (0.40) MEN1KMT2AMAPTNPSR1ACHE

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