SCHEMBL14037101

SCHEMBL14037101

CC1CCC(C2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CCR5 P51681 7/20 0.37
HTR7 P34969 1/20 0.35
ACHE P22303 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
KCNA3 P22001 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL20385000 0.94 SLC6A2 (0.40) SLC6A2SLC6A4CCR5HTR7ACHE
SCHEMBL10109493 0.84 CCR5 (0.33) SLC6A2SLC6A4CCR5OPRM1OPRD1
SCHEMBL14640497 0.83 SLC6A2 (0.45) SLC6A2SLC6A4CCR5HTR7TAAR1
SCHEMBL11788207 0.83 SLC6A2 (0.45) SLC6A2SLC6A4CCR5HTR7TAAR1
SCHEMBL15501009 0.81 SIGMAR1 (0.35) SLC6A2SLC6A4CCR5HTR7ACHE
Hydrochloric Acid SCHEMBL11789965 0.81 SLC6A2 (0.44) SLC6A2SLC6A4CCR5HTR7TAAR1
SCHEMBL26191606 0.79 ACHE (0.38) ACHETAAR1
SCHEMBL17704661 0.79 ACHE (0.38) ACHETAAR1
SCHEMBL10109594 0.78 MEN1 (0.37) SLC6A2SLC6A4CCR5
SCHEMBL10109405 0.77 ESR2 (0.44) SLC6A2SLC6A4CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992672-A1 Organic electroluminescent device TDK Corporation (JP) 2008-11-19 EP disclosed