SCHEMBL9823938

SCHEMBL9823938

CN(CC1CCN(CCN)C1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALOX15 P16050 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
NCF1 P14598 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MCHR1 Q99705 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL9824965 0.78 HRH3 (0.33) HRH3HRH4ACHEALDH1A1PKM
SCHEMBL9036766 0.77 SIGMAR1 (0.40) HRH3HRH4SIGMAR1MCHR1
SCHEMBL9824121 0.74 GNAI3 (0.40) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL9823863 0.73 GNAI3 (0.42) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL27267877 0.72 NOS3 (0.38) HRH3HRH4SIGMAR1MCHR1
SCHEMBL23128851 0.71 NCF1 (0.45) ALDH1A1NCF1SIGMAR1MCHR1
SCHEMBL9824407 0.70 CHRM5 (0.50) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL13280102 0.70 ADRA1B (0.44) HRH3HRH4ALDH1A1SIGMAR1ADH1C
SCHEMBL13711904 0.70 ADRA1B (0.48) HRH3HRH4SIGMAR1ADH1CADH1A
SCHEMBL19720283 0.70 ADRA1B (0.48) HRH3HRH4SIGMAR1ADH1CADH1A

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