SCHEMBL7785751

SCHEMBL7785751

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
XIAP P98170 5/20 0.44
AGTR1 P30556 1/20 0.40
MME P08473 3/20 0.38
ACE P12821 3/20 0.38
F7 P08709 4/20 0.37
F3 P13726 4/20 0.37
F2 P00734 1/20 0.37
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SRC P12931 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
SCHEMBL7794433 0.93 XIAP (0.47) GHSRXIAPAGTR1MMEACE
SCHEMBL7785962 0.90 GHSR (0.57) GHSRXIAPAGTR1MMEACE
SCHEMBL7791984 0.90 GHSR (0.50) GHSRXIAPAGTR1MMEACE
SCHEMBL9107930 0.88 GHSR (0.44) GHSRXIAPAGTR1MMEACE
SCHEMBL7791949 0.87 GHSR (0.59) GHSRXIAPAGTR1
SCHEMBL7791736 0.87 GHSR (0.59) GHSRXIAPAGTR1
SCHEMBL7792158 0.87 XIAP (0.45) GHSRXIAPAGTR1MMEACE
SCHEMBL7791696 0.87 XIAP (0.41) GHSRXIAPAGTR1MMEACE
SCHEMBL9388885 0.86 GHSR (0.43) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL9270890 0.86 GHSR (0.43) GHSRXIAPAGTR1DRD2DRD4

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 7 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
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5283241-A Animal growth regulators MERCK & CO., INC. (US) 1994-02-01 US disclosed