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Sugi Predict / Compounds / SCHEMBL7785922

SCHEMBL7785922

SCHEMBL7785922

CCCC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.78
▸ XIAP P98170 12/20 0.53
▸ AGTR1 P30556 1/20 0.50
▸ PTGER1 P34995 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ NPY1R P25929 1/20 0.43

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
SCHEMBL7786180 0.94 GHSR (0.79) GHSRXIAPAGTR1NPY1R
SCHEMBL7785844 0.94 GHSR (0.80) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL7791562 0.92 GHSR (0.78) GHSRXIAPAGTR1NPY1R
SCHEMBL7791697 0.91 GHSR (0.66) GHSRXIAPAGTR1NPY1R
SCHEMBL7785886 0.91 GHSR (0.73) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL7786102 0.90 GHSR (0.64) GHSRXIAPAGTR1NPY1R
SCHEMBL7786017 0.90 GHSR (0.64) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL7791723 0.90 GHSR (0.68) GHSRXIAPAGTR1
SCHEMBL7785552 0.89 GHSR (0.66) GHSRXIAPAGTR1PTGER1PTGER3
SCHEMBL7785725 0.89 GHSR (0.65) GHSRXIAPAGTR1

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
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 — — EP claimed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 — — EP disclosed