SCHEMBL9545177

SCHEMBL9545177

CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.51
▸ BACE2 Q9Y5Z0 4/20 0.51
▸ IL1RN P18510 1/20 0.51
▸ ERAP2 Q6P179 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ ACE P12821 4/20 0.50
▸ MME P08473 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ CTSD P07339 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL9545184 1.00 BACE1 (0.51) BACE1BACE2IL1RNERAP2NPY1R
SCHEMBL30895730 0.86 ACE (0.65) ACEMMECPA1ACE2FOLH1
SCHEMBL30343610 0.86 NAALAD2 (0.54) BACE1BACE2IL1RNERAP2NPY1R
SCHEMBL31284997 0.86 IL1RN (0.55) BACE1BACE2IL1RNERAP2NPY1R
SCHEMBL30643194 0.85 BACE1 (0.56) BACE1BACE2IL1RNERAP2NPY1R
SCHEMBL30512536 0.84 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL30449184 0.84 ACE (0.58) ACEMMECPA1ACE2FOLH1
SCHEMBL30973981 0.84 NPY4R (0.56) BACE1BACE2IL1RNERAP2NPY1R
SCHEMBL30713460 0.84 OPRD1 (0.51) IL1RNERAP2NPY1RNPY2RNPY4R
SCHEMBL31134397 0.83 ENPEP (0.55) BACE1BACE2FOLH1

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-1993021206-A1 SYNTHETIC, STABILIZED, THREE-DIMENSION POLYPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1993-10-28 — — WO claimed
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