SCHEMBL22815331

SCHEMBL22815331

CCCC1(c2ccc(N(c3ccccc3)c3ccc(Cl)cc3)cc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.50
SLC6A3 Q01959 10/20 0.50
SLC6A2 P23975 8/20 0.50
DPP4 P27487 1/20 0.39
EPHX2 P34913 3/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL15043618 0.86 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL12002388 0.85 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL15043625 0.83 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL15043692 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL2089640 0.78 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2DPP4CHRM2
SCHEMBL10607505 0.76 DPP4 (0.53) SLC6A4SLC6A3SLC6A2DPP4CHRM2
SCHEMBL15043679 0.75 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL19313131 0.74 HSD11B1 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL22815284 0.72 CYP1A2 (0.44) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL2422 0.72 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2EPHX2CHRM2

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
WO-2020253445-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 陕西莱特光电材料股份有限公司 2020-12-24 WO disclosed