SCHEMBL8909665

SCHEMBL8909665

CC(C)(N)C(=O)N[C@@H]1CCc2[nH]ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.51
XIAP P98170 9/20 0.38
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
TBXA2R P21731 2/20 0.33
PTGER1 P34995 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGFR P43088 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGIR P43119 2/20 0.33
PTGDR Q13258 2/20 0.33
PTGER2 P43116 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL8909573 0.92 GHSR (0.61) GHSRAGTR1XIAPNPY1R
SCHEMBL8909428 0.89 GHSR (0.53) GHSRAGTR1XIAPMMEACE
SCHEMBL9023962 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL9024436 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL9115536 0.86 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL9116368 0.86 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL8909380 0.85 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL8909323 0.84 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9024515 0.84 GHSR (0.61) GHSRAGTR1XIAPMMEACE
SCHEMBL8910549 0.83 GHSR (0.53) GHSRAGTR1XIAPMMEACE

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
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO claimed
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