SCHEMBL7791669

SCHEMBL7791669

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CSc2cc(F)ccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
XIAP P98170 2/20 0.37
AGTR1 P30556 1/20 0.36
DRD2 P14416 6/20 0.34
DRD4 P21917 6/20 0.34
DRD3 P35462 6/20 0.34
F7 P08709 4/20 0.33
F3 P13726 4/20 0.33
F2 P00734 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
NPY1R P25929 1/20 0.31

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
SCHEMBL7791685 0.95 GHSR (0.51) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7794426 0.94 GHSR (0.52) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7791804 0.94 GHSR (0.51) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7791732 0.93 GHSR (0.52) GHSRXIAPAGTR1F7F3
SCHEMBL7794434 0.93 GHSR (0.44) GHSRXIAPAGTR1F7F3
SCHEMBL7785962 0.92 GHSR (0.57) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL8331542 0.92 GHSR (0.51) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7785931 0.92 GHSR (0.51) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7791991 0.90 GHSR (0.58) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL9106352 0.90 GHSR (0.51) 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 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