SCHEMBL9823958

SCHEMBL9823958

CCCN(CCC)CCCC1CCN(CCN)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.47
GNAI3 P08754 3/20 0.47
GNAI1 P63096 3/20 0.47
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
ALOX15 P16050 1/20 0.36
CHRM1 P11229 5/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
DRD2 P14416 3/20 0.34
CHRM3 P20309 3/20 0.34
DRD4 P21917 3/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 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
SCHEMBL9824478 0.95 GNAO1 (0.46) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL9824777 0.89 GNAO1 (0.44) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL9824411 0.84 GNAO1 (0.43) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL598617 0.83 GNAO1 (0.58) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL9824415 0.82 SIGMAR1 (0.44) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL20374733 0.82 GNAO1 (0.60) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL24207822 0.79 GNAO1 (0.53) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL9825562 0.79 GNAO1 (0.43) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL9823981 0.78 GNAO1 (0.40) GNAO1GNAI3GNAI1PRMT3CARM1
SCHEMBL25433756 0.78 GNAO1 (0.54) GNAO1GNAI3GNAI1HRH3CHRM1

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