SCHEMBL8713087

SCHEMBL8713087

Cc1nnc(-c2cscc2-c2ccc(CN3C(=O)C(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCc4c3ccc3ccccc43)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.42
NPY1R P25929 1/20 0.35
CCKBR P32239 1/20 0.34
XIAP P98170 7/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL8660926 0.90 GHSR (0.52) GHSRAGTR1XIAPPSEN1PSEN2
SCHEMBL8578666 0.89 GHSR (0.43) GHSRAGTR1XIAP
SCHEMBL8578667 0.88 GHSR (0.42) GHSRAGTR1XIAP
SCHEMBL8578662 0.86 GHSR (0.42) GHSRAGTR1XIAP
SCHEMBL8719345 0.81 GHSR (0.45) GHSRAGTR1NPY1RCCKBRXIAP
SCHEMBL7930386 0.77 GHSR (0.45) GHSRAGTR1NPY1RCCKBRXIAP
SCHEMBL7923935 0.75 GHSR (0.44) GHSRAGTR1NPY1RXIAP
SCHEMBL8523460 0.72 AGTR1 (0.53) GHSRAGTR1NPY1RXIAP
SCHEMBL9039183 0.72 GHSR (0.52) GHSRAGTR1NPY1RCCKBRXIAP
SCHEMBL7785915 0.72 GHSR (0.56) GHSRAGTR1NPY1RCCKBRXIAP

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
US-5817654-A STIMULATE GROWTH HORMONES NOVO NORDISK A/S (DK) 1998-10-06 US disclosed
EP-0777668-A1 NOVEL N-SUBSTITUTED NAPHTHOFUSED LACTAMS NOVO NORDISK A/S (DK) 1997-06-11 EP disclosed
WO-1996005195-A1 NOVEL N-SUBSTITUTED NAPHTHOFUSED LACTAMS NOVO NORDISK A/S (DK) 1996-02-22 WO disclosed