SCHEMBL29413128

SCHEMBL29413128

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.51
▸ OPRD1 P41143 3/20 0.50
▸ BACE1 P56817 1/20 0.47
▸ OXTR P30559 1/20 0.45
▸ GRB2 P62993 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
SCHEMBL29624265 0.91 KISS1R (0.52) KISS1ROPRD1BACE1GRB2
SCHEMBL14060524 0.86 BACE1 (0.52) KISS1RBACE1
SCHEMBL29880362 0.85 KISS1R (0.53) KISS1RBACE1OXTRGRB2
SCHEMBL30546676 0.85 BACE1 (0.51) KISS1RBACE1
SCHEMBL30512724 0.84 F2 (0.58) KISS1ROXTR
SCHEMBL29457312 0.83 KISS1R (0.50) KISS1RBACE1
SCHEMBL29367381 0.83 OPRD1 (0.55) OPRD1BACE1
SCHEMBL30558097 0.82 KISS1R (0.52) KISS1ROPRD1
SCHEMBL2183820 0.82 OPRD1 (0.43) KISS1ROPRD1BACE1
SCHEMBL29972923 0.81 NAALAD2 (0.53) BACE1

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
CN-114133443-A Fatty acids and their use in conjugation with biomolecules 诺华股份有限公司 2022-03-04 — — CN disclosed
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