SCHEMBL12418228

SCHEMBL12418228

CCC(C)(CC)c1ccc(-c2c3ccccc3c(-c3ccc(Nc4cccc(CCCCCCc5ccc6c(c5)CC6)c4)cc3)c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ FDFT1 P37268 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ S1PR1 P21453 4/20 0.32
▸ S1PR3 Q99500 3/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ GRIN2B Q13224 2/20 0.31
▸ MLNR O43193 1/20 0.31
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL12653315 0.92 KIF11 (0.37) KIF11SERPINE1FDFT1DRD2SLC6A2
SCHEMBL12418229 0.92 KIF11 (0.37) KIF11SERPINE1FDFT1DRD2SLC6A2
SCHEMBL12793986 0.91 KIF11 (0.39) KIF11FDFT1DRD2SLC6A2HTR2A
SCHEMBL12419261 0.90 SERPINE1 (0.37) KIF11SERPINE1FDFT1
SCHEMBL12418231 0.89 DRD2 (0.35) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL12419188 0.87 S1PR1 (0.33) KIF11SERPINE1FDFT1DRD2S1PR1
SCHEMBL12418396 0.86 S1PR1 (0.35) SERPINE1DRD2SLC6A2HTR2AHTR2C
SCHEMBL14652900 0.85 SERPINE1 (0.35) KIF11SERPINE1
SCHEMBL12795804 0.84 S1PR1 (0.37) DRD2HTR2AHTR2CS1PR1S1PR3
SCHEMBL12418398 0.82 GRIN2B (0.33) SERPINE1DRD2HTR2AHTR2CS1PR1

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-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
EP-2314639-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE AND ORGANIC EL ILLUMINATING DEVICE Mitsubishi Chemical Corporation (JP) 2011-04-27 — — EP disclosed
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