SCHEMBL7791732

SCHEMBL7791732

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
XIAP P98170 3/20 0.37
AGTR1 P30556 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
F2 P00734 1/20 0.34
FPR1 P21462 4/20 0.33
FPR2 P25090 4/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7792292 0.95 GHSR (0.51) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL7785950 0.94 GHSR (0.51) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL7791684 0.94 GHSR (0.50) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL7791669 0.93 GHSR (0.52) GHSRXIAPAGTR1F7F3
SCHEMBL7792068 0.93 GHSR (0.44) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL7785962 0.92 GHSR (0.57) GHSRXIAPAGTR1F7F3
SCHEMBL7785931 0.91 GHSR (0.51) GHSRXIAPAGTR1
SCHEMBL8331542 0.91 GHSR (0.51) GHSRXIAPAGTR1F7F3
SCHEMBL7786011 0.91 GHSR (0.57) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL9104172 0.90 GHSR (0.50) GHSRXIAPAGTR1ALDH1A1MAPT

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
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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed