SCHEMBL29376109

SCHEMBL29376109

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.59
▸ NPY1R P25929 10/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY2R P49146 6/20 0.59
▸ CD40 P25942 2/20 0.56
▸ TFPI P10646 1/20 0.52

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
SCHEMBL29375535 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30516186 0.95 TFPI (0.55) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30153268 0.94 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31232432 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30939697 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL5965085 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL5965061 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30939704 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL31256982 0.92 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RCD40
SCHEMBL30516190 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RCD40

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851468-B2 Treatment of neurological diseases UNIVERSITY OF LANCASTER (GB) 2023-12-26 — — US disclosed
CN-110312520-B Treatment of neurological disorders 兰卡斯特大学企业有限公司 2023-01-24 — — CN disclosed
US-20220033457-A1 TREATMENT OF NEUROLOGICAL DISEASES UNIVERSITY OF LANCASTER (GB) 2022-02-03 — — US disclosed
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