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SCHEMBL29416142

SCHEMBL29416142

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.72
▸ NPY2R P49146 7/20 0.68
▸ NPY4R P50391 7/20 0.68
▸ NPY5R Q15761 7/20 0.68
▸ NPY1R P25929 5/20 0.68
▸ GLP1R P43220 1/20 0.67
▸ CRHR1 P34998 1/20 0.66
▸ CRHR2 Q13324 1/20 0.66
▸ TFPI P10646 2/20 0.65
▸ F2 P00734 3/20 0.64

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
SCHEMBL30495810 0.97 CALCR (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495758 0.94 CALCR (0.72) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182556 0.94 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658283 0.93 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31148882 0.93 CALCR (0.78) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658357 0.93 CALCR (0.75) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358206 0.92 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31464910 0.92 CALCR (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495617 0.92 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29494575 0.91 CALCR (0.76) CALCRNPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP disclosed
CN-116785403-A Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-09-22 — — CN disclosed
CN-109310732-B Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-07-21 — — CN disclosed
CN-114099636-A Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins 尼莫克斯制药公司 2022-03-01 — — CN disclosed
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