SCHEMBL8665579

SCHEMBL8665579

CN1C(=O)C(NC(=O)CC(C)(C)N)CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.55
▸ GHSR Q92847 1/20 0.55
▸ SCN9A Q15858 1/20 0.55
▸ RIPK1 Q13546 6/20 0.52
▸ PYGL P06737 1/20 0.50
▸ PYGM P11217 1/20 0.50
▸ MME P08473 2/20 0.47
▸ ACE P12821 2/20 0.47
▸ XIAP P98170 5/20 0.45

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
SCHEMBL8665576 0.90 GHSR (0.54) AGTR1GHSRSCN9ARIPK1MME
SCHEMBL9024198 0.85 XIAP (0.66) AGTR1GHSRMMEACEXIAP
SCHEMBL9025296 0.85 GHSR (0.68) AGTR1GHSRMMEACEXIAP
SCHEMBL8670502 0.84 SCN9A (0.55) GHSRSCN9ARIPK1PYGLPYGM
SCHEMBL9025003 0.84 XIAP (0.67) AGTR1GHSRMMEACEXIAP
SCHEMBL9025297 0.82 GHSR (0.71) AGTR1GHSRMMEACEXIAP
SCHEMBL3924251 0.81 RIPK1 (0.63) SCN9ARIPK1PYGLPYGMMME
SCHEMBL4218830 0.81 RIPK1 (0.63) SCN9ARIPK1PYGLPYGMMME
SCHEMBL14376829 0.81 RIPK1 (0.60) SCN9ARIPK1PYGLPYGMMME
SCHEMBL12376364 0.80 SCN9A (0.69) SCN9ARIPK1PYGLPYGM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726307-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 — — US disclosed
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