SCHEMBL666642

SCHEMBL666642

CC(C)(O)c1nc[c]cn1

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
SCHEMBL17654308 0.75 HSD17B10 (0.31)
SCHEMBL658285 0.72 SMN1; SMN2 (0.39)
SCHEMBL12275477 0.68 ESR1 (0.31)
SCHEMBL12457563 0.68 APLNR (0.43)
SCHEMBL21375246 0.67 KDM4E (0.32)
SCHEMBL1404057 0.67 KDM4E (0.35)
SCHEMBL12459213 0.67 GABRA1 (0.33)
SCHEMBL24587278 0.64 TNF (0.31)
SCHEMBL19250758 0.64 TNF (0.35)
SCHEMBL17654208 0.64 CA2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669239-B2 Tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-06-02 US claimed
US-20190337897-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-11-07 US claimed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US claimed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP claimed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 WO claimed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US claimed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
CN-109195968-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-11 CN disclosed
CN-109219609-B Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-01 CN disclosed
CN-109195969-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-12-21 CN disclosed
CN-109219608-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-12-21 CN disclosed
EP-3436456-B1 FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-11-17 EP disclosed
EP-3436460-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-08-18 EP disclosed
WO-2017167993-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2017-10-05 WO disclosed
EP-3201196-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-09 EP disclosed
WO-2016050975-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-07 WO disclosed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP disclosed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 WO disclosed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US disclosed