SCHEMBL29416246

SCHEMBL29416246

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.59
▸ RAMP1 O60894 1/20 0.59
▸ RAMP2 O60895 1/20 0.59
▸ RAMP3 O60896 1/20 0.59
▸ CALCRL Q16602 1/20 0.59
▸ F2 P00734 4/20 0.59
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ GLP1R P43220 3/20 0.56
▸ GCGR P47871 3/20 0.56
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ TFPI P10646 1/20 0.55

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
SCHEMBL31182518 0.89 CALCR (0.69) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30362627 0.88 CALCR (0.70) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29416004 0.88 NPY2R (0.59) CALCRRAMP3F2NPY1RNPY2R
SCHEMBL30495699 0.88 CALCR (0.73) CALCRF2CRHR1CRHR2NPY1R
SCHEMBL29522561 0.87 CALCR (0.69) CALCRF2C5AR1GLP1RGCGR
SCHEMBL30436462 0.87 CALCR (0.70) CALCRF2CRHR1CRHR2GLP1R
SCHEMBL31182519 0.87 CALCR (0.68) CALCRF2C5AR1NPY1RNPY2R
SCHEMBL29742990 0.87 MAPK8 (0.61) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30859188 0.86 CALCR (0.63) CALCRC5AR1GLP1RGCGR
SCHEMBL31006042 0.86 CALCR (0.74) CALCRCRHR1CRHR2GLP1RGCGR

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
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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