SCHEMBL8908968

SCHEMBL8908968

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3sccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.61
AGTR1 P30556 1/20 0.46
XIAP P98170 7/20 0.40
AVPR1A P37288 2/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1B P47901 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
SCHEMBL8908961 1.00 GHSR (0.61) GHSRAGTR1XIAPAVPR1AMME
SCHEMBL8909510 0.92 GHSR (0.56) GHSRAGTR1XIAPAVPR1AAVPR2
SCHEMBL8909502 0.92 GHSR (0.56) GHSRAGTR1XIAPAVPR1AAVPR2
SCHEMBL9117660 0.91 GHSR (0.52) GHSRAGTR1XIAP
SCHEMBL8910868 0.88 GHSR (0.59) GHSRAGTR1XIAPAVPR1AMME
SCHEMBL8910872 0.88 GHSR (0.59) GHSRAGTR1XIAPAVPR1AMME
SCHEMBL8910239 0.85 GHSR (0.45) GHSRAGTR1XIAP
SCHEMBL8910242 0.85 GHSR (0.45) GHSRAGTR1XIAP
SCHEMBL8909563 0.84 GHSR (0.45) GHSRAGTR1XIAP
SCHEMBL9114349 0.83 GHSR (0.56) GHSRAGTR1XIAPAVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed