SCHEMBL7791716

SCHEMBL7791716

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.66
DRD2 P14416 8/20 0.38
DRD4 P21917 8/20 0.38
DRD3 P35462 8/20 0.38
XIAP P98170 2/20 0.37
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
AGTR1 P30556 1/20 0.35
MCHR1 Q99705 1/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
F2 P00734 1/20 0.34
MAPT P10636 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
SCHEMBL7795592 0.94 GHSR (0.66) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7795732 0.93 GHSR (0.65) GHSRDRD2DRD4DRD3XIAP
SCHEMBL8330639 0.93 GHSR (0.57) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7794398 0.92 GHSR (0.55) GHSRXIAPKCNA5KCNH2AGTR1
SCHEMBL7791742 0.91 GHSR (0.54) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7794663 0.90 GHSR (0.68) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7791979 0.90 GHSR (0.76) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7786087 0.90 GHSR (0.53) GHSRDRD2DRD4DRD3XIAP
SCHEMBL7796084 0.90 GHSR (0.67) GHSRXIAPAGTR1F7F3
SCHEMBL8329860 0.89 GHSR (0.66) GHSRDRD2DRD4DRD3XIAP

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
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP 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 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