SCHEMBL29655902

SCHEMBL29655902

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.57
FCER2 P06734 4/20 0.56
MMP1 P03956 2/20 0.56
ERAP2 Q6P179 2/20 0.51
ERAP1 Q9NZ08 2/20 0.51
LNPEP Q9UIQ6 2/20 0.51
ACE P12821 1/20 0.51
HRH1 P35367 1/20 0.48
OPRD1 P41143 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL10448470 0.94 CTRB1 (0.62) CTRB1FCER2MMP1ERAP2ERAP1
SCHEMBL22563313 0.94 CTRB1 (0.62) CTRB1FCER2MMP1ERAP2ERAP1
SCHEMBL29531510 0.90 MME (0.58) CTRB1ACE
SCHEMBL29470194 0.90 MME (0.58) CTRB1ACE
SCHEMBL10646220 0.90 MME (0.58) CTRB1ACE
SCHEMBL10646215 0.90 MME (0.58) CTRB1ACE
SCHEMBL11799997 0.88 MME (0.56) CTRB1ACE
SCHEMBL30799679 0.88 CTRB1 (0.56) CTRB1ACE
SCHEMBL12470802 0.88 ACE (0.57) ERAP2ERAP1LNPEPACEOPRD1
SCHEMBL12470794 0.88 ACE (0.57) ERAP2ERAP1LNPEPACEOPRD1

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
US-20220214354-A1 MEANS AND METHODS FOR SINGLE MOLECULE PEPTIDE SEQUENCING VIB VZW (BE) 2022-07-07 US disclosed