SCHEMBL9102817

SCHEMBL9102817

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
XIAP P98170 2/20 0.47
AGTR1 P30556 1/20 0.46
PTGER1 P34995 10/20 0.45
PTGER3 P43115 10/20 0.45
PTGER4 P35408 8/20 0.45
PTGER2 P43116 6/20 0.45
TBXA2R P21731 4/20 0.45
PTGFR P43088 4/20 0.45
PTGIR P43119 4/20 0.45
PTGDR Q13258 4/20 0.45
NPY1R P25929 1/20 0.41
MTNR1A P48039 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL9105003 0.92 GHSR (0.56) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9106205 0.92 GHSR (0.56) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9107169 0.91 GHSR (0.58) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9104566 0.91 GHSR (0.59) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9108170 0.90 GHSR (0.70) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9103831 0.89 GHSR (0.53) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9107736 0.89 GHSR (0.58) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9106153 0.89 GHSR (0.58) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL9223036 0.88 GHSR (0.46) GHSRXIAPPTGER1PTGER3PTGER4
SCHEMBL9107008 0.85 XIAP (0.45) GHSRXIAPAGTR1PTGER1PTGER3

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-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed