SCHEMBL7796066

SCHEMBL7796066

CSc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2CNC(=O)NCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.43
XIAP P98170 1/20 0.36
F7 P08709 7/20 0.35
F3 P13726 7/20 0.35
F2 P00734 3/20 0.35
DRD2 P14416 4/20 0.33
DRD4 P21917 4/20 0.33
DRD3 P35462 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL7791759 0.94 GHSR (0.56) GHSRAGTR1XIAPF7F3
SCHEMBL7795658 0.93 GHSR (0.56) GHSRAGTR1XIAPF7F3
SCHEMBL7791647 0.93 GHSR (0.54) GHSRAGTR1XIAPF7F3
SCHEMBL8329860 0.93 GHSR (0.66) GHSRAGTR1XIAPF7F3
SCHEMBL8326452 0.92 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL7791991 0.91 GHSR (0.58) GHSRAGTR1XIAPF7F3
SCHEMBL7791541 0.91 GHSR (0.53) GHSRAGTR1XIAPF7F3
SCHEMBL8331542 0.91 GHSR (0.51) GHSRAGTR1XIAPF7F3
SCHEMBL7792083 0.90 GHSR (0.64) GHSRAGTR1XIAPF7F3
SCHEMBL8331169 0.90 GHSR (0.51) GHSRAGTR1XIAPF7F3

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