SCHEMBL8303346

SCHEMBL8303346

C[C@H](I)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.51
MMP1 P03956 2/20 0.51
KISS1R Q969F8 3/20 0.51
ACE P12821 1/20 0.49
HPGDS O60760 1/20 0.47
GHSR Q92847 1/20 0.47
PPARG P37231 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4677854 0.88 GHSR (0.55) FCER2MMP1KISS1RACEHPGDS
SCHEMBL4678317 0.88 GHSR (0.55) FCER2MMP1KISS1RACEHPGDS
SCHEMBL4680714 0.80 HPGDS (0.50) FCER2MMP1HPGDSPPARG
SCHEMBL15851264 0.79 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL14269021 0.79 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL15851263 0.79 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL10448470 0.77 CTRB1 (0.62) FCER2MMP1ACE
SCHEMBL22563313 0.77 CTRB1 (0.62) FCER2MMP1ACE
SCHEMBL6248471 0.75 CTSS (0.61) FCER2MMP1HPGDSPPARG
SCHEMBL18403737 0.75 HPGDS (0.53) FCER2MMP1HPGDS

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
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed