SCHEMBL5615780

SCHEMBL5615780

CCOC(=O)CC1c2ccccc2C2(CCNCC2)[C@@H]1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.48
OPRM1 P35372 1/20 0.48
ACE P12821 1/20 0.41
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5616106 0.92 GHSR (0.40) GHSROPRM1KMT2A
SCHEMBL5615834 0.91 GHSR (0.51) GHSROPRM1ACE
SCHEMBL5666463 0.91 GHSR (0.51) GHSROPRM1ACE
SCHEMBL9391345 0.91 GHSR (0.51) GHSROPRM1ACE
SCHEMBL5616251 0.86 GHSR (0.38) GHSROPRM1MAPTKMT2A
SCHEMBL9391064 0.86 GHSR (0.50) GHSROPRM1ACE
SCHEMBL5615895 0.83 GHSR (0.42) GHSROPRM1ACEKMT2A
SCHEMBL5616078 0.83 GHSR (0.42) GHSROPRM1ACEKMT2A
SCHEMBL9391359 0.83 GHSR (0.48) GHSROPRM1ACEKMT2A
SCHEMBL5615528 0.83 GHSR (0.42) GHSROPRM1ACEKMT2A

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