SCHEMBL3983137

SCHEMBL3983137

NC(=O)C1C2CCCC21

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
SCHEMBL9963064 1.00
SCHEMBL3983946 0.94 EPHX1 (0.42)
SCHEMBL1660648 0.94 EPHX1 (0.42)
SCHEMBL3980477 0.92 EPHX1 (0.42)
SCHEMBL3981840 0.92 EPHX1 (0.42)
SCHEMBL3987562 0.78 EPHX1 (0.31)
SCHEMBL3987558 0.78 EPHX1 (0.31)
SCHEMBL3985858 0.78 EPHX1 (0.31)
SCHEMBL27249769 0.76
SCHEMBL17662473 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US claimed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US claimed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP claimed
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP claimed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US claimed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO claimed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US claimed
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-114874209-A Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-08-09 CN disclosed
WO-2022114138-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVE 大正製薬株式会社 2022-06-02 WO disclosed
CN-110461838-B Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-05-06 CN disclosed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US disclosed