SCHEMBL7795593

SCHEMBL7795593

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.53
AGTR1 P30556 1/20 0.46
XIAP P98170 12/20 0.43
SCN9A Q15858 2/20 0.38

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
SCHEMBL7785928 0.94 GHSR (0.52) GHSRAGTR1XIAPSCN9A
SCHEMBL7794677 0.93 GHSR (0.60) GHSRAGTR1XIAPSCN9A
SCHEMBL7792017 0.93 GHSR (0.60) GHSRAGTR1XIAPSCN9A
SCHEMBL7795974 0.93 GHSR (0.61) GHSRAGTR1XIAPSCN9A
SCHEMBL8328942 0.92 GHSR (0.54) GHSRAGTR1XIAP
SCHEMBL7791590 0.91 GHSR (0.63) GHSRAGTR1XIAP
SCHEMBL7785867 0.90 GHSR (0.53) GHSRAGTR1XIAP
SCHEMBL7795619 0.90 GHSR (0.53) GHSRAGTR1XIAP
SCHEMBL7785884 0.90 GHSR (0.59) GHSRAGTR1XIAPSCN9A
SCHEMBL7792068 0.89 GHSR (0.44) GHSRAGTR1XIAP

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