SCHEMBL18800271

SCHEMBL18800271

CCC(N)C1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
CYP2C9 P11712 2/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 2/20 0.31
PSMD14 O00487 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19619424 0.88 SPHK1 (0.47) SLC18A3SPHK1CYP2C9DPP4DPP8
SCHEMBL18458889 0.88 SLC18A3 (0.34) SLC18A3SPHK1CYP2C9ALDH1A1MAPK1
SCHEMBL20929628 0.86 SPHK1 (0.39) SPHK1CYP2C9ALDH1A1MAPK1LMNA
SCHEMBL18458906 0.86 DRD2 (0.45) CYP2C9LMNAMAPTMEN1KMT2A
SCHEMBL18458741 0.86 DPP4 (0.40) SPHK1DPP4DPP8DPP9DPP7
SCHEMBL18458707 0.84 DRD2 (0.47) ALDH1A1MAPTIDO1DRD2
SCHEMBL21788435 0.82 SLC18A3 (0.36) SLC18A3SPHK1CYP2C9ALDH1A1MAPK1
SCHEMBL18458911 0.81 DRD2 (0.49) CYP2C9LMNAMAPTMEN1KMT2A
SCHEMBL19619425 0.80 SPHK1 (0.43) SPHK1CYP2C9DPP4DPP8DPP9
SCHEMBL18458890 0.80 ALDH1A1 (0.33) SPHK1CYP2C9ALDH1A1MAPK1LMNA

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-20170253800-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-09-07 US disclosed
US-9637684-B2 Composition and liquid crystal display element using same DIC CORPORATION (JP) 2017-05-02 US disclosed