SCHEMBL9824712

SCHEMBL9824712

CCN(CC)CC1CCCN(CC#N)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
BCHE P06276 5/20 0.31
ACHE P22303 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30

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
SCHEMBL9824823 0.90 MEN1 (0.32) MEN1KMT2A
SCHEMBL9824395 0.89 MEN1 (0.34) MEN1KMT2AL3MBTL1MAOBKDM2B
SCHEMBL13036986 0.82 KDM2B (0.38) MAOBKDM2BBCHEDRD2DRD3
SCHEMBL9824437 0.81 MAOB (0.34) MEN1KMT2AMAOBKDM2BBCHE
SCHEMBL9824895 0.81 DRD2 (0.34) MAOBDRD2DRD3
SCHEMBL9824779 0.76 KMT2A (0.46) MEN1KMT2AL3MBTL1BCHE
SCHEMBL13006566 0.76 MEN1 (0.40) MEN1KMT2AL3MBTL1DRD3
SCHEMBL4387050 0.75 KDM2B (0.38) MAOBKDM2BBCHEDRD2DRD3
SCHEMBL665119 0.75 MAOB (0.38) MAOBKDM2BBCHEDRD2DRD3
SCHEMBL3897140 0.75 CYP2D6 (0.44) MAOBKDM2BBCHEDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273239-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1991-03-06 EP disclosed
US-4873236-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1989-10-10 US disclosed
EP-0273239-A1 Condensed diazepinones, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1988-07-06 EP disclosed