SCHEMBL28210204

SCHEMBL28210204

CC(C)Cc1ccccc1N(N)c1ccccc1CN

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
PNMT P11086 1/20 0.35
AOC3 Q16853 6/20 0.35
DPP4 P27487 2/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL28210211 0.81 GABRA1 (0.34) GABRA1GABRB2PNMTAOC3DPP4
SCHEMBL28210206 0.79 PNMT (0.39) GABRA1GABRB2PNMTAOC3DPP4
SCHEMBL13994811 0.78 GABRA1 (0.52) GABRA1GABRB2PNMTDPP4
Ammonia Solution, Strong SCHEMBL28293881 0.77 GABRA1 (0.50) GABRA1GABRB2PNMTDPP4
Hydrochloric Acid SCHEMBL4599374 0.77 GABRA1 (0.50) GABRA1GABRB2PNMTDPP4
SCHEMBL13233313 0.75 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL22781261 0.73 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL9912451 0.73 GABRA1 (0.52) GABRA1GABRB2AOC3
SCHEMBL26002740 0.72 GABRA1 (0.45) GABRA1GABRB2AOC3
SCHEMBL26921035 0.72 PNMT (0.39) PNMTAOC3DPP4

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 claimed