SCHEMBL30314520

SCHEMBL30314520

COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMBR P28336 18/20 1.00
GRPR P30550 18/20 1.00
FPR1 P21462 4/20 1.00
AGTR1 P30556 1/20 0.81
GPR65 Q8IYL9 1/20 0.81

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
SCHEMBL397898 1.00 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL397897 1.00 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249801 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30901851 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179971 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6810082 0.84 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252249 0.84 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252271 0.84 NMBR (0.94) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250987 0.83 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7654323 0.83 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65

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-20240173375-A1 CHEMOTACTIC AUTOPHAGY-INHIBITING PEPTIDE, COMPOSITIONS AND METHODS RELATED THERETO BIOTEMPT B.V. (NL) 2024-05-30 US disclosed
CN-117836011-A Methods and materials for combining biological agents with various chelators 梅约医学教育与研究基金会 2024-04-05 CN disclosed
CN-115778961-B Application of PD173074 in preparation of anti-itch medicament 中国人民解放军空军军医大学 2024-01-26 CN disclosed
CN-117100863-A Use of cannabinoid systems and downstream pathways thereof for preventing and/or treating chronic itch 南方科技大学 2023-11-24 CN disclosed
CN-113512032-B Oxadiazole thioether derivative, and preparation method and application thereof 合肥工业大学 2023-08-04 CN disclosed
CN-113512032-B Oxadiazole thioether derivative, and preparation method and application thereof 合肥工业大学 2023-08-04 CN disclosed
CN-115778961-A Application of PD173074 in preparation of anti-pruritus drugs 中国人民解放军空军军医大学 2023-03-14 CN disclosed