SCHEMBL8330639

SCHEMBL8330639

COc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2CNC(=O)NCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.43
DRD2 P14416 8/20 0.38
DRD4 P21917 8/20 0.38
DRD3 P35462 8/20 0.38
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
XIAP P98170 2/20 0.36
MCHR1 Q99705 1/20 0.35
HTR7 P34969 1/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
F2 P00734 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL8331161 0.94 GHSR (0.56) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7791658 0.93 GHSR (0.56) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7791742 0.93 GHSR (0.54) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7791716 0.93 GHSR (0.66) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7791796 0.92 GHSR (0.47) GHSRAGTR1XIAPHTR7F7
SCHEMBL7786087 0.91 GHSR (0.53) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL7791991 0.91 GHSR (0.58) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7785931 0.91 GHSR (0.51) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7792083 0.90 GHSR (0.64) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL7796095 0.90 GHSR (0.51) 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-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US claimed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO claimed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed