SCHEMBL9823964

SCHEMBL9823964

CCCN(CCC)CC1CCCN(CCN)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCHE P06276 3/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
BACE1 P56817 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9823863 0.92 GNAI3 (0.42) MEN1KMT2ABCHEGNAI3GNAO1
SCHEMBL9824779 0.88 KMT2A (0.46) MEN1KMT2ABCHEL3MBTL1
SCHEMBL9824121 0.81 GNAI3 (0.40) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL9824395 0.79 MEN1 (0.34) MEN1KMT2ABCHEDRD2DRD3
SCHEMBL9825152 0.75 BCHE (0.35) MEN1KMT2ABCHEGNAI3GNAO1
SCHEMBL11615967 0.73 ALOX15 (0.41) BCHE
SCHEMBL18542759 0.72 DRD2 (0.45) BCHEDRD2DRD1DRD4DRD5
SCHEMBL10064309 0.72 CYP2D6 (0.45) BCHEGNAI3GNAO1GNAI1
SCHEMBL14756462 0.72 GNAO1 (0.46) GNAI3GNAO1GNAI1DRD2DRD4
SCHEMBL3897612 0.72 CYP2D6 (0.45) BCHEGNAI3GNAO1GNAI1

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