SCHEMBL7868472

SCHEMBL7868472

CC(C)(N)C(=O)NC(CCC1CCCCC1)C(=O)N1c2ccccc2C2(CCNCC2)[C@H]1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.40
MAPK14 Q16539 10/20 0.36
MAPK11 Q15759 7/20 0.34
ADORA2A P29274 1/20 0.33
OPRL1 P41146 4/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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 0.89 GHSR (0.44) GHSR
SCHEMBL7918487 0.88 GHSR (0.43) GHSR
Hydrochloric Acid SCHEMBL8590141 0.84 GHSR (0.38) GHSR
SCHEMBL8150673 0.83 GHSR (0.57) GHSR
SCHEMBL7759453 0.76 GHSR (0.51) GHSR
SCHEMBL5013587 0.74 GHSR (0.70) GHSR
SCHEMBL5013586 0.74 GHSR (0.70) GHSR
Hydrochloric Acid SCHEMBL7489605 0.73 GHSR (0.69) GHSR
Hydrochloric Acid SCHEMBL7489609 0.73 GHSR (0.69) GHSR
SCHEMBL7369459 0.72 GHSR (0.33) GHSRMAPK14MAPK11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071423-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-31 EP disclosed
EP-0986550-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
WO-1999051234-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1998055470-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed