SCHEMBL29794045

SCHEMBL29794045

C[C@H](NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.44
▸ ACE P12821 7/20 0.42
▸ REN P00797 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL29765215 0.85 ACE (0.52) CAPN1ACERENKDM4EF2
SCHEMBL29765157 0.85 ACE (0.52) CAPN1ACERENKDM4EF2
SCHEMBL29666768 0.84 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL29802004 0.83 ACE (0.52) ACERENOPRK1
SCHEMBL29802246 0.83 ACE (0.52) ACERENOPRK1
SCHEMBL30628782 0.83 ACE (0.49) ACERENOPRK1
SCHEMBL29802029 0.82 ACE (0.48) ACEREN
SCHEMBL3871588 0.82 CAPN1 (0.53) CAPN1ACERENCTSBOPRK1
SCHEMBL29765195 0.82 ACE (0.48) CAPN1ACERENCTSB
SCHEMBL23854819 0.81 ACE (0.47) CAPN1ACERENKDM4EF2

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
EP-4247338-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF Spexis AG (CH) 2023-09-27 — — EP disclosed
WO-2022106063-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF POLYPHOR AG (CH) 2022-05-27 — — WO disclosed
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