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SCHEMBL29527010

SCHEMBL29527010

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 3/20 0.59
▸ CCKBR P32239 1/20 0.59
▸ GLP1R P43220 1/20 0.59
▸ VIPR2 P41587 4/20 0.58
▸ PTH1R Q03431 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.57
▸ TFPI P10646 1/20 0.57
▸ SLC2A1 P11166 2/20 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
SCHEMBL30906463 0.90 TFPI (0.59) VIPR1CCKBRGLP1RPTH1RRXFP1
SCHEMBL29527049 0.90 PTH1R (0.72) CCKBRGLP1RPTH1RRXFP1
SCHEMBL30432173 0.90 VIPR1 (0.69) VIPR1CCKBRGLP1RVIPR2PTH1R
SCHEMBL30176428 0.90 PTH1R (0.70) VIPR1CCKBRGLP1RVIPR2PTH1R
SCHEMBL31517010 0.89 GLP1R (0.64) VIPR1CCKBRGLP1RVIPR2RXFP1
SCHEMBL30436591 0.89 VIPR1 (0.65) VIPR1CCKBRGLP1RVIPR2PTH1R
SCHEMBL31182584 0.89 TFPI (0.66) VIPR1GLP1RVIPR2TFPI
SCHEMBL31441459 0.89 KEAP1 (0.65) CCKBRGLP1R
SCHEMBL30262056 0.89 KEAP1 (0.62) VIPR1CCKBRGLP1RVIPR2PTH1R
SCHEMBL30327338 0.88 BACE1 (0.57) VIPR1GLP1RVIPR2PTH1RRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022060131-A1 POLYETHYLENE GLYCOL DERIVATIVE, COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING BIOACTIVE POLYPEPTIDE CONJUGATE BY USING SAME 한미정밀화학 주식회사 2022-03-24 — — WO disclosed
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