SCHEMBL28210211

SCHEMBL28210211

CC(C)c1ccccc1N(N)c1ccccc1CN

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRB2 P47870 2/20 0.34
PNMT P11086 1/20 0.34
AOC3 Q16853 3/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
DPP4 P27487 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 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
SCHEMBL28210204 0.81 GABRA1 (0.41) GABRA1GABRB2PNMTAOC3DPP4
SCHEMBL28210206 0.78 PNMT (0.39) GABRA1GABRB2PNMTAOC3DPP4
SCHEMBL394900 0.77 GABRA1 (0.44) GABRA1GABRB2PNMTGABRG2GABRB3
SCHEMBL16814941 0.71 DPP4 (0.52) GABRA1GABRB2PNMTGABRG2GABRB3
SCHEMBL26921035 0.71 PNMT (0.39) PNMTAOC3DPP4
SCHEMBL23771351 0.70 GABRA1 (0.43) GABRA1GABRB2PNMTGABRG2GABRB3
SCHEMBL19046926 0.70 GABRA1 (0.41) GABRA1GABRB2AOC3GABRG2GABRB3
SCHEMBL1854006 0.69 PNMT (0.44) PNMTAOC3DPP4CYP3A4TSHR
SCHEMBL30607596 0.69 PNMT (0.44) PNMTAOC3DPP4CYP3A4TSHR
SCHEMBL28208053 0.69 PNMT (0.44) GABRA1GABRB2PNMTDPP4TSHR

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
CN-105985464-B Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2018-04-03 CN disclosed