SCHEMBL5615528

SCHEMBL5615528

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)[C@@H]1[C@H](CC(=O)O)c2ccccc2C12CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.42
OPRM1 P35372 1/20 0.42
ACE P12821 1/20 0.37
SOS1 Q07889 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
EPHA2 P29317 1/20 0.36
TGM2 P21980 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5615895 1.00 GHSR (0.42) GHSROPRM1ACESOS1ITGB2
SCHEMBL5616078 1.00 GHSR (0.42) GHSROPRM1ACESOS1ITGB2
SCHEMBL9391359 0.92 GHSR (0.48) GHSROPRM1ACEITGB2ICAM1
SCHEMBL5666463 0.92 GHSR (0.51) GHSROPRM1ACE
SCHEMBL5615834 0.92 GHSR (0.51) GHSROPRM1ACE
SCHEMBL9391345 0.92 GHSR (0.51) GHSROPRM1ACE
SCHEMBL5616106 0.91 GHSR (0.40) GHSROPRM1SOS1TGM2MEN1
SCHEMBL5616251 0.86 GHSR (0.38) GHSROPRM1SOS1EPHA2TGM2
SCHEMBL5615780 0.83 GHSR (0.48) GHSROPRM1ACEKMT2A
SCHEMBL9391064 0.81 GHSR (0.50) GHSROPRM1ACE

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-1781311-A2 GROWTH-HORMONE SECRETAGOGUES Elixir Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
WO-2006023608-A2 GROWTH-HORMONE SECRETAGOGUES ELIXIR PHARMACEUTICALS, INC. (US) 2006-03-02 WO disclosed