SCHEMBL7794597

SCHEMBL7794597

CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.40
PDE1C Q14123 1/20 0.39
GRIN2B Q13224 4/20 0.38
ATM Q13315 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36

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
SCHEMBL7795967 0.87 RIPK1 (0.42) RIPK1PYGLPYGM
SCHEMBL8331733 0.87 RIPK1 (0.42) RIPK1PYGLPYGM
SCHEMBL8332959 0.86 RIPK1 (0.49) RIPK1PYGLPYGM
SCHEMBL7932739 0.78 RIPK1 (0.38) RIPK1
SCHEMBL7795529 0.75 SIRT2 (0.46) RIPK1SIRT2PYGLPYGM
SCHEMBL9025094 0.74 RIPK1 (0.48) RIPK1PYGLPYGM
SCHEMBL9026043 0.74 RIPK1 (0.48) RIPK1PYGLPYGM
SCHEMBL7421739 0.74 RIPK1 (0.48) RIPK1PYGLPYGM
SCHEMBL9025122 0.74 RIPK1 (0.48) RIPK1PYGLPYGM
SCHEMBL1976229 0.74 RIPK1 (0.57) RIPK1PYGLPYGM

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 3 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 disclosed
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