SCHEMBL7918487

SCHEMBL7918487

CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1c2ccccc2C2(CCNCC2)[C@H]1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.43
TACR1 P25103 2/20 0.37
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 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
SCHEMBL7495162 0.95 GHSR (0.44) GHSRTACR1
SCHEMBL7868472 0.88 GHSR (0.40) GHSR
SCHEMBL8150673 0.86 GHSR (0.57) GHSRTACR1
Hydrochloric Acid SCHEMBL8590141 0.83 GHSR (0.38) GHSR
SCHEMBL7759453 0.79 GHSR (0.51) GHSRTACR1
SCHEMBL9391707 0.75 GHSR (0.36) GHSRMMP1MMP3MMP9
SCHEMBL8466975 0.74 GHSR (0.39) GHSRTACR1MMP1MMP3MMP9
SCHEMBL5015355 0.73 GHSR (0.76) GHSRTACR1
SCHEMBL9394623 0.73 GHSR (0.35) GHSRMMP1MMP3MMP9
SCHEMBL29440089 0.73 GHSR (0.76) GHSRTACR1

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-1066285-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-10 EP disclosed
WO-1999051595-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed