SCHEMBL12795804

SCHEMBL12795804

CCC(C)(CC)c1ccc(-c2ccc(Nc3ccc(CCCCCCc4ccc5c(c4)CC5)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.37
▸ S1PR3 Q99500 4/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ MLNR O43193 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ UNG P13051 3/20 0.34
▸ MOGAT2 Q3SYC2 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL12418229 0.92 KIF11 (0.37) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12653315 0.92 KIF11 (0.37) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12418396 0.92 S1PR1 (0.35) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12653457 0.90 DRD2 (0.34) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12793986 0.88 KIF11 (0.39) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12418398 0.88 GRIN2B (0.33) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12419188 0.85 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12418231 0.85 DRD2 (0.35) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL12418228 0.84 KIF11 (0.34) S1PR1S1PR3S1PR4S1PR5DRD2
SCHEMBL14652951 0.84 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5MOGAT2

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-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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