SCHEMBL10503258

SCHEMBL10503258

CC(N)c1cccc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
PNMT P11086 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
CD44 P16070 1/20 0.46
TSHR P16473 3/20 0.40
PIK3CA P42336 1/20 0.40
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 3/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
HIF1A Q16665 2/20 0.36
FAAH O00519 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
SCHEMBL29407112 0.83 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL3482836 0.83 CD44 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL104522 0.83 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL6201553 0.82 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL1061130 0.82 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL16512108 0.82 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL28495226 0.80 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL18341001 0.79 CD44 (0.44) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL992768 0.79 CD44 (0.44) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL24440433 0.77 GABRA1 (0.48) CYP3A4CYP1A2CYP2D6NFKB1PNMT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288867-A3 AMINOPHENYL ETHYL AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFORMANCE PROMOTORS BAYER AG (DE) 1989-11-15 EP disclosed
EP-0288867-A2 Aminophenyl ethyl amine derivatives, process for their preparation and their use as performance promotors BAYER AG (DE) 1988-11-02 EP disclosed
EP-0225600-A2 Process for increasing the efficiency of useful animals, new aminophenylethylamine derivatives, and their preparation BAYER AG (DE) 1987-06-16 EP disclosed
EP-0119446-A3 GROWTH PROMOTING AMINOPHENYLETHYL AMINE DERIVATIVES BAYER AG (DE) 1985-03-27 EP disclosed
EP-0119446-A2 Growth promoting aminophenylethyl amine derivatives BAYER AG (DE) 1984-09-26 EP disclosed