SCHEMBL7495162

SCHEMBL7495162

CC(C)(N)C(=O)NC(CCc1ccccc1)C(=O)N1c2ccccc2C2(CCNCC2)[C@H]1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.44
TACR1 P25103 2/20 0.35
TACR2 P21452 1/20 0.34
F2 P00734 1/20 0.34
MLNR O43193 1/20 0.33
CTSK P43235 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
SCHEMBL7918487 0.95 GHSR (0.43) GHSRTACR1
SCHEMBL7868472 0.89 GHSR (0.40) GHSR
SCHEMBL8150673 0.88 GHSR (0.57) GHSRTACR1
Hydrochloric Acid SCHEMBL8590141 0.84 GHSR (0.38) GHSR
SCHEMBL7759453 0.80 GHSR (0.51) GHSRTACR1
SCHEMBL8469385 0.74 GHSR (0.56) GHSRTACR1
SCHEMBL7500323 0.73 GHSR (0.55) GHSRTACR1
SCHEMBL16860861 0.73 NOTUM (0.36)
SCHEMBL8161727 0.73 GHSR (0.39) GHSRTACR1TACR2F2CTSK
SCHEMBL16539832 0.73 HTR2C (0.43)

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
EP-1027046-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1027046-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-08-16 EP disclosed
WO-1999021553-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed