SCHEMBL8098593

SCHEMBL8098593

COc1ccc(CCN(CCCc2ccccc2)C(=O)Cc2ccccc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
LTB4R Q15722 2/20 0.56
LTB4R2 Q9NPC1 2/20 0.56
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL6993505 0.98 L3MBTL1 (0.58) L3MBTL1LTB4RLTB4R2PLAAT3PLAAT5
SCHEMBL28901341 0.89 L3MBTL1 (0.57) L3MBTL1LTB4RLTB4R2PLAAT3PLAAT5
SCHEMBL4149143 0.83 L3MBTL1 (0.55) L3MBTL1LTB4RLTB4R2ALOX5SMPD1
SCHEMBL8084814 0.80 ALOX5 (0.58) L3MBTL1LTB4RLTB4R2ALOX5ALDH1A1
SCHEMBL10452641 0.79 PDE4D (0.54) L3MBTL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL706154 0.79 LPAR1 (0.78) L3MBTL1LTB4R2LPAR1
SCHEMBL12971411 0.78 EBP (0.68) PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL10526510 0.78 EBP (0.68) PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4693129 0.77 CYP1A2 (0.54) L3MBTL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5209919 0.77 KMT2A (0.52) L3MBTL1LTB4RLTB4R2PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136819-A COMPOUNDS FOR ANTIINFLAMMATORY AGENTS OR CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM GMBH (DE) 2000-10-24 US disclosed
US-5968948-A FOR TREATMENT OF EPILEPSY, STROKE, ALZHEIMER'S DISEASE, BRAIN DISEASES OR AS ANTIINFLAMMATORY OR ANTIPROLIFERATIVE AGENTS BOERHINGER INGELHEIM GMBH (DE) 1999-10-19 US disclosed
US-5661157-A Annelated dihydropyridines and the use thereof for preparing pharmaceutical preparations BOEHRINGER INGELHEIM KG (DE) 1997-08-26 US disclosed