SCHEMBL7775432

SCHEMBL7775432

CC[C@H](CBr)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
CCR5 P51681 1/20 0.44
TAAR1 Q96RJ0 5/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MIF P14174 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
TRPA1 O75762 1/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 1/20 0.38
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL5890038 1.00 LMNA (0.48) LMNACCR5TAAR1POLBCYP2D6
SCHEMBL2240978 1.00 LMNA (0.48) LMNACCR5TAAR1POLBCYP2D6
SCHEMBL169508 0.85 LMNA (0.56) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL9452584 0.85 HTR2A (0.43) LMNATAAR1CYP2D6TRPA1HTR2A
Ammonia Solution, Strong SCHEMBL1640901 0.82 LMNA (0.54) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL7986873 0.82 AOC3 (0.43) LMNACCR5TAAR1POLBSIGMAR1
SCHEMBL27493681 0.82 LMNA (0.45) LMNACCR5TAAR1CYP2D6CTSD
SCHEMBL27710910 0.82 LMNA (0.45) LMNACCR5TAAR1CYP2D6CTSD
SCHEMBL8097091 0.81 LMNA (0.48) LMNACCR5TAAR1CYP2D6MIF
Methylamine SCHEMBL27931105 0.80 LMNA (0.52) LMNACCR5TAAR1CYP2D6HTR2A

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
CN-1082944-C Novel aspartyl amide derivative and sweetener AJINOMOTO GENERAL FOODS K K (JP) 2002-04-17 CN disclosed
EP-0784050-B1 Novel aspartylamide derivatives and sweeteners AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6010733-A ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2000-01-04 US disclosed
CN-1163261-A Novel aspartyl amide derivative and sweetener AJINOMOTO GENERAL FOODS INC (JP) 1997-10-29 CN disclosed
EP-0784050-A1 Novel aspartylamide derivatives and sweeteners Ajinomoto Co., Inc. (JP) 1997-07-16 EP disclosed