SCHEMBL12379518

SCHEMBL12379518

CCCCc1ccc(N(C)c2ccc(-c3c4ccccc4c(-c4ccc(C)cc4)c4cc(CCCCCc5ccc6c(c5)CC6)ccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.38
DRD2 P14416 4/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MPL P40238 3/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
CNR2 P34972 1/20 0.33
MAPK8 P45983 1/20 0.33
HSD11B1 P28845 2/20 0.33
DRD3 P35462 3/20 0.32
HTR6 P50406 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORA P35398 1/20 0.32

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
SCHEMBL12379568 0.91 CTSV (0.41) CTSVCTSLCNR2MAPK8HSD11B1
SCHEMBL12379488 0.87 SIGMAR1 (0.33) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL12379499 0.83 IGF1R (0.41) MLNRHTR2A
SCHEMBL12619692 0.82 SIGMAR1 (0.39) MLNRDRD2HSD11B1DRD3
SCHEMBL12379514 0.81 CHKA (0.34)
SCHEMBL12379506 0.80 MLNR (0.39) MLNRDRD2HTR2AHTR2CMPL
SCHEMBL12379502 0.79 IGF1R (0.35) MLNRMPL
SCHEMBL12379542 0.79 LPL (0.39) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL14649857 0.79 MPL (0.31) MPL
SCHEMBL12619714 0.78 SIGMAR1 (0.35) MLNR

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
US-20110198573-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-18 US disclosed