SCHEMBL6234032

SCHEMBL6234032

ONc1ccnc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.63
ADRA1D P25100 2/20 0.63
ADRA1A P35348 2/20 0.63
ADRA1B P35368 2/20 0.63
FERMT2 Q96AC1 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN11 Q06124 1/20 0.56
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
ACHE P22303 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
RIPK2 O43353 1/20 0.51
FADS1 O60427 1/20 0.50
EGFR P00533 1/20 0.50
NCF1 P14598 1/20 0.50

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
SCHEMBL6752938 0.83 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27293401 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27943481 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL248690 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL4500702 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9902520 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27579461 0.79 PLK4 (0.73) HTR1AADRA1DADRA1AADRA1BPTPN1
Hydrochloric Acid SCHEMBL29043209 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL1208911 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL695985 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538545-B Lactobacillus salivarius and food composition thereof FAZHENG REN 2011-07-20 CN disclosed
CN-101538545-A Lactobacillus salivarius and food composition thereof INNER MONGOLIA MENGNIU DAIRY G 2009-09-23 CN disclosed
EP-1521520-A2 METHODS FOR DEVELOPING ANIMAL MODELS Center for the Advancement of Health and Bioscience (US) 2005-04-13 EP disclosed
WO-2004000011-A2 METHODS FOR DEVELOPING ANIMAL MODELS CENTER FOR THE ADVANCEMENT OF HEALTH AND BIOSCIENCE (US) 2003-12-31 WO disclosed