SCHEMBL29435102

SCHEMBL29435102

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.58
▸ CXCR4 P61073 5/20 0.57
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ CTNNB1 P35222 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSH P09668 1/20 0.52
▸ CTSS P25774 1/20 0.52

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
SCHEMBL29463744 0.90 KISS1R (0.60) KISS1RCXCR4CAPN1CTSBNTSR2
SCHEMBL30695167 0.90 CXCR4 (0.62) KISS1RCXCR4CAPN1CTSBNTSR2
SCHEMBL31146340 0.89 CXCR4 (0.65) KISS1RCXCR4CAPN1CTSBNTSR2
SCHEMBL30565410 0.89 C5AR1 (0.56) KISS1RCXCR4CAPN1CTSBNTSR2
SCHEMBL29463717 0.88 CAPN1 (0.63) KISS1RCXCR4CAPN1CTSBNTSR2
Nerofe SCHEMBL31146290 0.88 CXCR4 (0.62) KISS1RCXCR4C5AR1NPY1RNPY2R
Nerofe SCHEMBL29534410 0.88 CXCR4 (0.62) KISS1RCXCR4C5AR1NPY1RNPY2R
SCHEMBL31146211 0.88 CXCR4 (0.62) KISS1RCXCR4C5AR1NPY1RNPY2R
SCHEMBL30735734 0.88 CXCR4 (0.58) KISS1RCXCR4CAPN1CTSBNTSR2
SCHEMBL6041189 0.88 CXCR4 (0.61) KISS1RCXCR4CAPN1CTSBNTSR2

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-113646012-B Peptide having excellent adhesion to resin and biocompatible functional material using same 株式会社日立制作所 2022-08-19 — — CN disclosed
US-20220211899-A1 PEPTIDE EXHIBITING EXCELLENT ADHESION TO RESINS AND BIOCOMPATIBLE FUNCTIONAL MATERIAL USING SAME HITACHI, LTD. (JP) 2022-07-07 — — US disclosed
EP-3954698-A1 PEPTIDE EXHIBITING EXCELLENT ADHESION TO RESINS AND BIOCOMPATIBLE FUNCTIONAL MATERIAL USING SAME Hitachi, Ltd. (JP) 2022-02-16 — — EP disclosed
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