SCHEMBL29416154

SCHEMBL29416154

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.60
▸ CALCR P30988 4/20 0.59
▸ C5AR1 P21730 1/20 0.59
▸ F2 P00734 4/20 0.58
▸ MC4R P32245 1/20 0.56
▸ CXCR4 P61073 1/20 0.55
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ IL23R Q5VWK5 1/20 0.54

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
SCHEMBL30444134 0.90 APLNR (0.63) APLNRCALCRC5AR1F2CXCR4
SCHEMBL29767747 0.89 CALCR (0.64) APLNRCALCRC5AR1F2CXCR4
SCHEMBL29895442 0.89 CALCR (0.73) APLNRCALCR
SCHEMBL6437853 0.89 CALCR (0.73) APLNRCALCR
SCHEMBL30444321 0.88 APLNR (0.63) APLNRCALCRC5AR1F2CXCR4
SCHEMBL29903338 0.87 F2 (0.62) APLNRCALCRF2MC4RHCRTR1
SCHEMBL29767745 0.87 CALCR (0.63) APLNRCALCRC5AR1F2CXCR4
SCHEMBL31182976 0.87 CALCR (0.70) APLNRCALCRF2CXCR4
SCHEMBL30960478 0.87 CALCR (0.66) APLNRCALCRC5AR1F2CXCR4
SCHEMBL31296089 0.87 APLNR (0.61) APLNRCALCRC5AR1F2MC4R

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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