SCHEMBL7848280

SCHEMBL7848280

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)[N+]1(S(C)(=O)=O)CC2(CCNCC2)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.37
OPRM1 P35372 1/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
ADAM17 P78536 1/20 0.35
NOTUM Q6P988 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NR3C1 P04150 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCKBR P32239 1/20 0.33
MPO P05164 2/20 0.33
SLC6A4 P31645 2/20 0.33
ACE P12821 1/20 0.33
EPHA2 P29317 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL8462876 0.94 GHSR (0.39) GHSROPRM1HTR2AHTR2CADAM17
SCHEMBL7930529 0.78 GHSR (0.46) GHSROPRM1ACE
Hydrochloric Acid SCHEMBL7575092 0.78 GHSR (0.42) GHSROPRM1MEN1KMT2AACE
SCHEMBL7654721 0.76 GHSR (0.49) GHSROPRM1ACE
SCHEMBL6981470 0.72 GHSR (0.52) GHSR
SCHEMBL6981466 0.72 GHSR (0.52) GHSR
SCHEMBL8161727 0.71 GHSR (0.39) GHSR
Hydrochloric Acid SCHEMBL7571696 0.71 GHSR (0.37) GHSRMEN1KMT2AACE
SCHEMBL5615895 0.71 GHSR (0.42) GHSROPRM1MEN1KMT2AACE
SCHEMBL5616078 0.71 GHSR (0.42) GHSROPRM1MEN1KMT2AACE

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-1070064-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-24 EP disclosed
WO-1999051596-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed