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SCHEMBL13634028

SCHEMBL13634028

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H](C(N)=O)C(C)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.53
▸ BACE1 P56817 3/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.51
▸ KISS1R Q969F8 11/20 0.50
▸ IL23R Q5VWK5 4/20 0.47
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL13781455 0.93 TFPI (0.53) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL13634029 0.86 BACE1 (0.50) TFPIBACE1BACE2
SCHEMBL31369291 0.84 KISS1R (0.61) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL13634040 0.83 TFPI (0.56) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL31369292 0.82 KISS1R (0.57) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL8894949 0.79 BACE1 (0.61) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL29520890 0.78 BACE1 (0.57) BACE1BACE2KISS1R
SCHEMBL29611494 0.78 BACE1 (0.58) TFPIBACE1BACE2IL23R
SCHEMBL13781456 0.78 BACE1 (0.44) BACE1BACE2PTPN1
SCHEMBL30974094 0.77 KISS1R (0.53) TFPIBACE1BACE2KISS1RIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304388-B2 Imaging agents GE HEALTHCARE LIMITED (GB) 2012-11-06 — — US disclosed
US-8304388-B2 Imaging agents GE HEALTHCARE LIMITED (GB) 2012-11-06 — — US disclosed
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