SCHEMBL9024359

SCHEMBL9024359

CC(=O)OCC(=O)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
LTB4R2 Q9NPC1 5/20 0.42
SLC6A3 Q01959 3/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SLC6A4 P31645 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 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
SCHEMBL9405743 0.89 LMNA (0.42) LMNALTB4R2SLC6A3SCN1ASCN2A
SCHEMBL4529398 0.85 LMNA (0.50) LMNALTB4R2SCN1ASCN2ASCN3A
SCHEMBL9024484 0.84 LMNA (0.47) LMNALTB4R2SLC6A3SCN1ASCN2A
SCHEMBL9405741 0.81 LMNA (0.42) LMNALTB4R2SLC6A3SCN1ASCN2A
SCHEMBL5863187 0.77 TSHR (0.57) LMNALTB4R2SLC6A3SCN1ASCN2A
SCHEMBL16125429 0.77 BRS3 (0.41) LTB4R2SLC6A3ALDH1A1CES2CES1
SCHEMBL562 0.77 SLC6A3 (0.68) LMNALTB4R2SLC6A3SLC6A4KMT2A
SCHEMBL29390423 0.77 SLC6A3 (0.68) LMNALTB4R2SLC6A3SLC6A4KMT2A
SCHEMBL365731 0.76 LTB4R2 (0.57) LTB4R2CES2CES1
SCHEMBL29502712 0.76 LTB4R2 (0.57) LTB4R2CES2CES1

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-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed