SCHEMBL9824437

SCHEMBL9824437

CCN(CC)CCCCC1CCCN(CC#N)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
LSS P48449 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 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
SCHEMBL9824518 0.86 SIGMAR1 (0.49) MAOBSIGMAR1KDM2BLSS
SCHEMBL9824712 0.81 MEN1 (0.40) MAOBKDM2BMEN1KMT2ABCHE
SCHEMBL9825152 0.80 BCHE (0.35) SIGMAR1LSSCHRM2CHRM4CHRM1
SCHEMBL9825161 0.79 MAPT (0.47) MAOBSIGMAR1HRH3
SCHEMBL9824395 0.77 MEN1 (0.34) MAOBKDM2BMEN1KMT2ABCHE
SCHEMBL4374291 0.77 MAOB (0.38) MAOBKDM2BCHRM2CHRM4CHRM1
SCHEMBL4374295 0.77 MAOB (0.38) MAOBKDM2BLSSBCHE
SCHEMBL13036986 0.76 KDM2B (0.38) MAOBKDM2BCHRM2CHRM4CHRM1
SCHEMBL9824677 0.76 MAPT (0.43) MAOBSIGMAR1HRH3
SCHEMBL20284250 0.76 SIGMAR1 (0.38) SIGMAR1LSSCHRM2CHRM4CHRM1

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