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SCHEMBL29628017

SCHEMBL29628017

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.66
▸ GLP1R P43220 8/20 0.64
▸ CCKBR P32239 1/20 0.64
▸ CRHR1 P34998 1/20 0.64
▸ CRHR2 Q13324 1/20 0.64
▸ PTH1R Q03431 2/20 0.63
▸ VIPR1 P32241 2/20 0.62
▸ TFPI P10646 1/20 0.62
▸ KEAP1 Q14145 1/20 0.60
▸ VIPR2 P41587 1/20 0.60

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
SCHEMBL29628018 0.98 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL29628084 0.98 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL25303269 0.98 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL29628152 0.98 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30529017 0.98 PTH1R (0.65) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL29836025 0.97 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL719111 0.97 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL29628071 0.96 CALCR (0.66) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30529084 0.96 PTH1R (0.65) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL15787075 0.96 CALCR (0.64) CALCRGLP1RCCKBRCRHR1CRHR2

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
CN-111670196-B Humanized and deimmunized antibodies 维沃永治疗公众有限公司 2024-10-01 — — CN disclosed
CN-116223579-A Nanopore biosensor and preparation method and application thereof 深圳华大生命科学研究院 2023-06-06 — — CN disclosed
CN-108699139-B Humanized antibodies 维沃永治疗公众有限公司 2022-06-24 — — CN disclosed
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