SCHEMBL455500

SCHEMBL455500

O=[C]CN1CCNCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2000877 0.91 CXCR4 (0.50)
SCHEMBL23087845 0.87 CXCR4 (0.57)
SCHEMBL1402742 0.85
SCHEMBL8424491 0.80
SCHEMBL1776726 0.76
SCHEMBL1481713 0.75 POLB (0.61)
SCHEMBL3252654 0.75
SCHEMBL678786 0.75
SCHEMBL1393841 0.74
SCHEMBL9167025 0.74 POLB (0.60)

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 337 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921319-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP claimed
US-20230167117-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2023-06-01 US claimed
CN-115991664-A Naphthoquinone oxime derivative with antibacterial activity and medical application thereof 上海交通大学 2023-04-21 CN claimed
CN-109897008-B 2-benzoyl-6-amino-4 (3H) -quinazolinone derivative and synthesis method and application thereof 中南大学 2022-05-03 CN claimed
CN-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 CN claimed
EP-3921319-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BeiGene, Ltd. (KY) 2021-12-15 EP claimed
CN-113423708-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-21 CN claimed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP claimed
WO-2020160710-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE, LTD. (KY) 2020-08-13 WO claimed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 WO claimed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP claimed
WO-1987007895-A1 ANDROSTANE-TYPE AND CORTICAL AMINOESTERS THE UPJOHN COMPANY (US) 1987-12-30 WO claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed