SCHEMBL7791796

SCHEMBL7791796

COc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2CNC(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.45
XIAP P98170 2/20 0.38
F7 P08709 8/20 0.37
F3 P13726 8/20 0.37
F2 P00734 3/20 0.37
HTR7 P34969 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM5 P08912 1/20 0.36
F10 P00742 2/20 0.35
PLA2G2A P14555 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
SCHEMBL7792009 0.94 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL7791658 0.93 GHSR (0.56) GHSRAGTR1XIAPF7F3
SCHEMBL8331161 0.93 GHSR (0.56) GHSRAGTR1XIAPF7F3
SCHEMBL7794398 0.92 GHSR (0.55) GHSRAGTR1XIAPF7F3
SCHEMBL8330639 0.92 GHSR (0.57) GHSRAGTR1XIAPF7F3
SCHEMBL7794624 0.91 GHSR (0.45) GHSRAGTR1XIAPF7F3
SCHEMBL7796068 0.90 GHSR (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL8331047 0.90 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL7796021 0.90 GHSR (0.53) GHSRAGTR1XIAPF7F3
SCHEMBL8331855 0.90 GHSR (0.43) 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 5 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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed