SCHEMBL4780977

SCHEMBL4780977

CC(C)c1ccccc1N1CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 4/20 0.36
TMEM97 Q5BJF2 2/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL4778369 0.79 NOTUM (0.40) ALOX15DRD2GAA
SCHEMBL4776044 0.78 RORC (0.41) SLC6A2SLC6A4UBE2MDCUN1D1CNR2
SCHEMBL4779434 0.78 ADRA1D (0.48) SLC6A2SLC6A4DRD2HTR7ADRA1A
SCHEMBL4778958 0.78 ADRA1D (0.48) SLC6A2SLC6A4DRD2HTR7ADRA1A
SCHEMBL14820140 0.78 KMT2A (0.41) SLC6A2SLC6A4DRD2
SCHEMBL18484463 0.78 KMT2A (0.41) SLC6A2SLC6A4DRD2
SCHEMBL7867642 0.78 KMT2A (0.41) SLC6A2SLC6A4DRD2
SCHEMBL4781028 0.76 KDM4E (0.43) ADRA1A
SCHEMBL4780332 0.76 CHRM4 (0.38) DRD2UBE2MDCUN1D1GAASLC6A3
SCHEMBL4774664 0.75 ADRA1D (0.38) SLC6A2SLC6A4HTR1ADRD2ADRA1A

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed