SCHEMBL8053786

SCHEMBL8053786

CN(Cc1ccc(C(C)(C)C)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
LMNA P02545 3/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
NR1I2 O75469 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACHE P22303 1/20 0.46
EPHX1 P07099 5/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3239729 0.79 HTR2A (0.44) KCNH2SLC6A2HTR2ASLC6A4MEN1
SCHEMBL16699619 0.74 CNR2 (0.53) KCNH2LMNASLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL16699996 0.73 CNR2 (0.52) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL8053802 0.72 SIGMAR1 (0.59) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL798094 0.72 HRH3 (0.58) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL21023409 0.71 KCNH2 (0.43) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL14587216 0.70 CNR2 (0.53) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL12201774 0.70 SIGMAR1 (0.56) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL8131565 0.70 MEN1 (0.49) KCNH2LMNASLC6A2HTR2ASLC6A4
SCHEMBL13818361 0.70 PYCR1 (0.44) KCNH2LMNASLC6A2HTR2ASLC6A4

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-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US claimed
US-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US disclosed