Sugi Predict

Sugi Predict / Compounds / SCHEMBL29623995

SCHEMBL29623995

SCHEMBL29623995

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.61
▸ VIPR2 P41587 6/20 0.58
▸ TFPI P10646 1/20 0.57
▸ ECE1 P42892 1/20 0.56
▸ GLP1R P43220 1/20 0.56
▸ MUS81 Q96NY9 1/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.56
▸ PTH1R Q03431 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
SCHEMBL31603938 0.95 VIPR1 (0.58) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL30262185 0.95 VIPR1 (0.57) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL29624097 0.94 VIPR1 (0.68) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL29677393 0.93 RXFP1 (0.58) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL30176490 0.93 VIPR1 (0.57) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL30495775 0.93 VIPR1 (0.70) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL29677265 0.92 VIPR2 (0.57) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL29677217 0.92 VIPR2 (0.57) VIPR1VIPR2TFPIECE1GLP1R
SCHEMBL30261997 0.92 VIPR1 (0.60) VIPR1VIPR2ECE1GLP1RMUS81
SCHEMBL30712890 0.92 VIPR2 (0.58) VIPR1VIPR2RXFP1PTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745381-B Bioactive peptide with amino acid structure NIRNIGKTLVTR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN claimed
CN-112745381-B Bioactive peptide with amino acid structure NIRNIGKTLVTR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN disclosed