SCHEMBL7796103

SCHEMBL7796103

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@H](O)CO)CSc3cc(SC)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
XIAP P98170 2/20 0.36
AGTR1 P30556 1/20 0.35
F7 P08709 7/20 0.32
F3 P13726 7/20 0.32
F2 P00734 3/20 0.32
F10 P00742 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL8331169 0.95 GHSR (0.51) GHSRXIAPAGTR1F7F3
SCHEMBL7791755 0.95 GHSR (0.49) GHSRXIAPAGTR1F7F3
SCHEMBL7795484 0.94 GHSR (0.49) GHSRXIAPAGTR1F7F3
SCHEMBL7785914 0.93 GHSR (0.43) GHSRXIAPAGTR1F7F3
SCHEMBL7785934 0.92 GHSR (0.50) GHSRXIAPAGTR1F7F3
SCHEMBL7792142 0.91 GHSR (0.55) GHSRXIAPAGTR1F7F3
SCHEMBL7791704 0.91 GHSR (0.49) GHSRXIAPAGTR1F7F3
SCHEMBL7785999 0.90 GHSR (0.49) GHSRXIAPAGTR1F7F3
SCHEMBL7795658 0.89 GHSR (0.56) GHSRXIAPAGTR1F7F3
SCHEMBL8331542 0.89 GHSR (0.51) GHSRXIAPAGTR1F7F3

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
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