SCHEMBL29485117

SCHEMBL29485117

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKACB P22694 1/20 0.55
▸ BMP1 P13497 1/20 0.53
▸ NPBWR1 P48145 1/20 0.52
▸ KISS1R Q969F8 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ MC4R P32245 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ GHSR Q92847 1/20 0.51

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
SCHEMBL30492107 0.97 PRKACB (0.57) PRKACBBMP1NPBWR1KISS1RMC4R
SCHEMBL29485122 0.94 GHSR (0.54) PRKACBKISS1RACEMC4REPHX2
SCHEMBL31593250 0.92 GHSR (0.58) PRKACBNPBWR1MC4RGHSR
SCHEMBL30028027 0.90 GHSR (0.53) PRKACBACEGHSR
SCHEMBL30200105 0.89 ACE (0.52) KISS1RACEGHSR
SCHEMBL30028772 0.89 MC4R (0.57) KISS1RACEMC4R
SCHEMBL30839329 0.89 KDM4E (0.53) KISS1RACEGHSR
SCHEMBL13604887 0.89 MC4R (0.57) KISS1RACEMC4R
SCHEMBL29577026 0.89 ACE (0.52) KISS1RACEGHSR
SCHEMBL30085020 0.89 ACE (0.52) KISS1RACEGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406302-A Method of transglutaminase conjugation with amino acid based linkers 阿拉里斯生物技术股份公司 2023-07-07 — — CN disclosed
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