SCHEMBL7796095

SCHEMBL7796095

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.35
XIAP P98170 2/20 0.35
DRD2 P14416 8/20 0.34
DRD4 P21917 8/20 0.34
DRD3 P35462 8/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
HTR2A P28223 2/20 0.33
ADRA1A P35348 2/20 0.33
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
F2 P00734 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7791710 0.95 GHSR (0.49) GHSRAGTR1XIAPDRD2DRD4
SCHEMBL7785999 0.95 GHSR (0.49) GHSRAGTR1XIAPDRD2DRD4
SCHEMBL7785931 0.95 GHSR (0.51) GHSRAGTR1XIAPDRD2DRD4
SCHEMBL8331855 0.93 GHSR (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL7794426 0.92 GHSR (0.52) GHSRAGTR1XIAPDRD2DRD4
SCHEMBL7795969 0.91 GHSR (0.57) GHSRAGTR1XIAPF7F3
SCHEMBL7785950 0.91 GHSR (0.51) GHSRAGTR1XIAPF7F3
SCHEMBL8331169 0.91 GHSR (0.51) GHSRAGTR1XIAPF7F3
SCHEMBL8330639 0.90 GHSR (0.57) GHSRAGTR1XIAPDRD2DRD4
SCHEMBL7795833 0.90 GHSR (0.50) GHSRAGTR1XIAPDRD2DRD4

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 4 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
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