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SCHEMBL30527894

SCHEMBL30527894

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ TFPI P10646 4/20 0.57
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56
▸ CXCR4 P61073 2/20 0.56
▸ NMUR2 Q9GZQ4 1/20 0.56
▸ NMUR1 Q9HB89 1/20 0.56

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
SCHEMBL29416057 1.00 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182739 0.89 NMUR2 (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772 0.88 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495751 0.88 CALCR (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30400475 0.88 NPY2R (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000913 0.87 CALCR (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29438372 0.87 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567721 0.87 CALCR (0.64) CALCR
SCHEMBL31182697 0.87 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567759 0.87 CALCR (0.72) 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 4 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
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