SCHEMBL6775113

SCHEMBL6775113

O=C(C1=COOC1)N(Cc1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.39
▸ ROCK2 O75116 1/20 0.36
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ GPBAR1 Q8TDU6 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6775116 0.79 MAPKAPK2 (0.41) MAPKAPK2LTB4R2ROCK2SLC6A2SLC6A4
SCHEMBL6785514 0.75 LTB4R2 (0.46) MAPKAPK2LTB4R2GPBAR1KMT2APDK1
SCHEMBL6774316 0.74 ALDH1A1 (0.51) MAPKAPK2LTB4R2KMT2AGAAPDK1
SCHEMBL6773913 0.74 LTB4R2 (0.41) MAPKAPK2LTB4R2ROCK2PDK1
SCHEMBL6775891 0.72 PDK1 (0.47) LTB4R2KMT2AGAATSHRPDK1
SCHEMBL6778429 0.71 MAPT (0.50) LTB4R2SLC6A2SLC6A4PDK1
SCHEMBL6779984 0.71 NPY2R (0.44) MAPKAPK2LTB4R2GPBAR1PDK1MAPK14
SCHEMBL6780805 0.71 KMT2A (0.47) LTB4R2KMT2AMAPK14
SCHEMBL6783999 0.71 PTGER1 (0.47) LTB4R2PDK1
SCHEMBL4764550 0.70 LTB4R2 (0.47) LTB4R2KMT2AGAATSHRPDK1

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
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US claimed
Send feedback