SCHEMBL9088933

SCHEMBL9088933

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3c[nH]nn3)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.46
XIAP P98170 2/20 0.42
MME P08473 3/20 0.37
ACE P12821 3/20 0.37
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 1/20 0.35
SRC P12931 3/20 0.34

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
SCHEMBL9087316 0.89 GHSR (0.58) GHSRAGTR1XIAPMMEACE
SCHEMBL9024591 0.88 GHSR (0.46) GHSRAGTR1XIAPMMEACE
SCHEMBL9025080 0.88 GHSR (0.46) GHSRAGTR1XIAPMMEACE
SCHEMBL9089642 0.87 GHSR (0.60) GHSRAGTR1XIAP
SCHEMBL9089069 0.85 GHSR (0.43) GHSRAGTR1XIAPMMEACE
SCHEMBL9089962 0.85 GHSR (0.48) GHSRAGTR1XIAPMMEACE
SCHEMBL9218242 0.84 XIAP (0.45) GHSRAGTR1XIAPMMEACE
SCHEMBL7795570 0.83 GHSR (0.46) GHSRAGTR1XIAPMMEACE
SCHEMBL7794433 0.83 XIAP (0.47) GHSRAGTR1XIAPMMEACE
SCHEMBL7791803 0.83 XIAP (0.44) GHSRAGTR1XIAPMMEACE

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-0665748-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. 1995-08-23 EP claimed
EP-0665748-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-08-09 EP claimed
WO-1994007486-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-04-14 WO claimed
US-5583130-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1996-12-10 US disclosed
WO-1994007486-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-04-14 WO disclosed