SCHEMBL12379527

SCHEMBL12379527

Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(C)c4cccc(CCCCCCCCc5ccc6c(c5)CC6)c4)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.36
CHKA P35790 3/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
GRIN2B Q13224 2/20 0.34
BCHE P06276 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 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
SCHEMBL12619692 0.95 SIGMAR1 (0.39) SIGMAR1CHKADRD2DRD3GRIN2B
SCHEMBL12379486 0.94 SIGMAR1 (0.35) SIGMAR1CHKAGRIN2BBCHE
SCHEMBL12379497 0.94 SIGMAR1 (0.35) SIGMAR1CHKAGRIN2BBCHE
SCHEMBL12619714 0.94 SIGMAR1 (0.35) SIGMAR1CHKAGRIN2BBCHE
SCHEMBL12379528 0.91 SIGMAR1 (0.37) SIGMAR1CHKADRD2GRIN2BBCHE
SCHEMBL12619690 0.90 CHKA (0.35) SIGMAR1CHKAGRIN2B
SCHEMBL12379488 0.88 SIGMAR1 (0.33) SIGMAR1CHKADRD2GRIN2BBCHE
SCHEMBL12379519 0.88 CHKA (0.37) SIGMAR1CHKAGRIN2B
SCHEMBL16682920 0.88 IGF1R (0.37) SIGMAR1DRD2DRD3GRIN2BSLC6A2
SCHEMBL16682921 0.88 IGF1R (0.37) SIGMAR1DRD2DRD3GRIN2BSLC6A2

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