SCHEMBL8990855

SCHEMBL8990855

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
AGTR1 P30556 1/20 0.33
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ITGB1 P05556 2/20 0.30
ITGA4 P13612 2/20 0.30
ITGB7 P26010 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
XIAP P98170 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL8990933 0.95 GHSR (0.49) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990751 0.94 GHSR (0.47) GHSRAGTR1MEN1KMT2A
SCHEMBL8990948 0.94 GHSR (0.47) GHSRAGTR1XIAPPTGER1
SCHEMBL8990840 0.92 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL8990801 0.91 GHSR (0.39) GHSRAGTR1MEN1KMT2AXIAP
SCHEMBL8990759 0.89 GHSR (0.48) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990923 0.88 GHSR (0.47) GHSRAGTR1XIAPPTGER1
SCHEMBL8990925 0.87 GHSR (0.49) GHSRAGTR1
SCHEMBL8990957 0.87 GHSR (0.43) GHSRDRD2DRD4DRD3
SCHEMBL8990873 0.86 GHSR (0.43) GHSRAGTR1DRD2DRD4DRD3

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed