SCHEMBL6947907

SCHEMBL6947907

COC(=O)CC(=O)C=Cc1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P4HB P07237 14/20 0.58
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL11829557 0.90 PDCD1 (0.57) P4HBMAOAMAOBHDAC4MEF2D
SCHEMBL10990769 0.86 P4HB (0.50) P4HBMAOAMAOBHDAC4MEF2D
SCHEMBL11826003 0.84 P4HB (0.48) P4HBMAOAMAOBHDAC4MEF2D
SCHEMBL10481042 0.84 MAOA (0.49) P4HBMAOAMAOBHDAC4MEF2D
SCHEMBL24313 0.83 P4HB (0.64) P4HBMAOAMAOB
SCHEMBL6983643 0.83 P4HB (0.64) P4HBMAOAMAOB
SCHEMBL24312 0.83 P4HB (0.64) P4HBMAOAMAOB
SCHEMBL10995556 0.83 GSK3B (0.55) P4HBMAOAMAOBHDAC4NFE2L2
SCHEMBL11742883 0.83 P4HB (0.50) P4HBMAOAMAOBHDAC4MEF2D
SCHEMBL10985576 0.82 P4HB (0.51) P4HBMAOAMAOBHDAC4MEF2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946028-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946027-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3943140-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3933834-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US disclosed