SCHEMBL942850

SCHEMBL942850

C1=CCN2C=CN=CC2=C1

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
SCHEMBL168677 0.68
SCHEMBL207610 0.68
Hydrochloric Acid SCHEMBL29350580 0.67 KDM4E (0.31)
SCHEMBL27815530 0.67
SCHEMBL8523235 0.67
SCHEMBL29564458 0.67
SCHEMBL105523 0.64
SCHEMBL30843790 0.63 KDM4E (0.33)
SCHEMBL27509032 0.63
Pyrimidine SCHEMBL29211317 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350038-B2 Fluorescence quencher molecules ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-01-08 US claimed
EP-2336119-B1 Fluorescent quencher molecules as well as methods and uses involving the same HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
EP-2336119-A1 Fluorescent quencher molecules as well as methods and uses involving the same F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20110092689-A1 FLUORESCENCE QUENCHER MOLECULES ROCHE DIAGNOSTICS GMBH (DE) 2011-04-21 US claimed
EP-1663238-B1 HEXA- AND OCTAHYDRO-PYRIDO[1,2-a] PYRAZINE DERIVATIVES WITH NK1 ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2009-08-12 EP claimed
US-7244734-B2 Hexa- and octahydro-pyrido[1,2-a]pyrazine derivatives with NK1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2007-07-17 US claimed
WO-2006013205-A1 NEUROKININ-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS RESPONSIVE TO TESTOSTERONE ELEVATION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-02-09 WO claimed
US-20060030556-A1 Neurokinin-1 receptor antagonists for the treatment of conditions responsive to testosterone elevation, including testosterone deficiency SOLVAY PHARMACEUTICALS B.V. 2006-02-09 US claimed
US-20050070548-A1 Hexa-and octahydro-pyrido[1,2-a]pyrazine derivatives with NK1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-31 US claimed
US-12637454-B2 Heterocyclic monoacylglycerol lipase (MAGL) inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-05-26 US disclosed
US-12558329-B2 Methods and compositions for treating 4-hydroxyphenylpyruvate dioxygenase-like (HPDL)-related diseases or disorders NEW YORK UNIVERSITY (US) 2026-02-24 US disclosed
US-20250213569-A1 METHODS AND COMPOSITIONS FOR MEASURING AND INHIBITING EXONUCLEASE ACTIVITY NEW YORK UNIVERSITY (US) 2025-07-03 US disclosed
US-20250170082-A1 HPDL INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2025-05-29 US disclosed
EP-4139294-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
WO-1992000075-A1 PYRIDOPYRAZINE DERIVATIVES FOR TREATING SUBSTANCE ABUSE AND ADDICTION PFIZER INC. (US) 1992-01-09 WO disclosed
WO-1992000074-A2 PYRIDOPYRAZINE DERIVATIVES FOR TREATING SUBSTANCE ABUSE AND ADDICTION PFIZER INC. (US) 1992-01-09 WO disclosed
WO-1992000074-A2 PYRIDOPYRAZINE DERIVATIVES FOR TREATING SUBSTANCE ABUSE AND ADDICTION PFIZER INC. (US) 1992-01-09 WO disclosed
EP-0380217-A1 Bis-aza-bicyclic anxiolytic agents and antidepressants PFIZER INC. (US) 1990-08-01 EP disclosed
WO-1990008148-A1 BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1990-07-26 WO disclosed
WO-1990008144-A1 BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1990-07-26 WO disclosed