SCHEMBL30844020

SCHEMBL30844020

CSCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ ACE P12821 6/20 0.38
▸ REN P00797 4/20 0.38
▸ PPID Q08752 3/20 0.38
▸ PPIG Q13427 1/20 0.38
▸ NRP1 O14786 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CTSH P09668 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PEPD P12955 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL29564535 0.92 CXCR4 (0.40) TSHRACERENCTSLCTSS
SCHEMBL30997437 0.88 ACE (0.40) ACERENNRP1LMNAKDM4E
SCHEMBL30051518 0.87 ACE (0.46) TSHRACERENLMNAKDM4E
SCHEMBL30552516 0.87 ACE (0.49) ACENRP1
SCHEMBL30185765 0.87 APLNR (0.47) NRP1
SCHEMBL34466206 0.86 BDKRB2 (0.44) ACENRP1
SCHEMBL29450071 0.86 ACE (0.40) ACERENNRP1LMNAKDM4E
SCHEMBL31663323 0.86 NRP1 (0.40) ACERENNRP1
SCHEMBL30422984 0.85 ACE (0.47) ACENRP1
SCHEMBL11644393 0.85 OPRK1 (0.43) ACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268291-A1 FLAVOR COMPOSITIONS AND SCREENING METHODS FOR IDENTIFYING THE SAME MARS, INCORPORATED (US) 2025-08-28 — — US claimed
EP-3768092-B1 FLAVOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME MARS INC (US) 2024-10-02 — — EP claimed
CN-112533485-B Flavor composition and screening method for identifying flavor composition 马斯公司 2024-04-12 — — CN claimed
US-20250268291-A1 FLAVOR COMPOSITIONS AND SCREENING METHODS FOR IDENTIFYING THE SAME MARS, INCORPORATED (US) 2025-08-28 — — US disclosed
US-12317911-B2 Flavor compositions and screening methods for identifying the same MARS, INCORPORATED (US) 2025-06-03 — — US disclosed
EP-3768092-B1 FLAVOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME MARS INC (US) 2024-10-02 — — EP disclosed
CN-112533485-B Flavor composition and screening method for identifying flavor composition 马斯公司 2024-04-12 — — CN disclosed
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