SCHEMBL3468049

SCHEMBL3468049

C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.66
REN P00797 2/20 0.64
CTSL P07711 2/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
IL1RN P18510 1/20 0.58
ERAP2 Q6P179 1/20 0.58
CCKBR P32239 6/20 0.58
TACR1 P25103 2/20 0.57
OPRD1 P41143 2/20 0.56
CCKAR P32238 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
OPRM1 P35372 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55

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
SCHEMBL3468048 1.00 ACE (0.66) ACERENCTSLCTSSCTSK
SCHEMBL8257450 1.00 ACE (0.66) ACERENCTSLCTSSCTSK
SCHEMBL27893082 0.97 ACE (0.64) ACERENCTSLCTSSCTSK
SCHEMBL30643016 0.96 ACE (0.71) ACERENCTSLCTSSCTSK
SCHEMBL27902194 0.96 ACE (0.71) ACERENCTSLCTSSCTSK
SCHEMBL27902195 0.96 ACE (0.71) ACERENCTSLCTSSCTSK
SCHEMBL8252259 0.93 REN (0.63) ACERENCTSLCTSSCTSK
SCHEMBL12706510 0.91 ACE (0.64) ACERENCTSLCTSSCTSK
SCHEMBL30638855 0.90 ACE (0.78) ACERENCTSLCTSSCTSK
SCHEMBL3825352 0.90 ACE (0.78) ACERENCTSLCTSSCTSK

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-2010077155-A1 A METHOD OF PRODUCING AN N-BLOCKED PEPTIDE ACTION FOR DEVELOPMENT OF RESEARCH SP. Z.O.O. (PL) 2010-07-08 WO disclosed