SCHEMBL9824094

SCHEMBL9824094

CCN(CC)CC1CCCCN1CCNC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
PRMT8 Q9NR22 2/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR5 Q9H228 3/20 0.38
OPRD1 P41143 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRMT1 Q99873 1/20 0.35
TSHR P16473 1/20 0.34
S1PR4 O95977 1/20 0.34
CHRM2 P08172 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9824088 0.90 S1PR1 (0.41) CARM1PRMT6PRMT8S1PR1S1PR3
SCHEMBL9824639 0.85 S1PR1 (0.42) CARM1PRMT6PRMT8S1PR1S1PR3
SCHEMBL9825242 0.84 CARM1 (0.41) CARM1PRMT6PRMT8S1PR1S1PR3
SCHEMBL9824576 0.81 OPRD1 (0.36) S1PR1S1PR3S1PR5OPRD1HSD17B10
SCHEMBL12477659 0.79 CARM1 (0.38) CARM1PRMT6PRMT8S1PR1S1PR3
SCHEMBL9824391 0.78 S1PR1 (0.38) S1PR1S1PR3S1PR5OPRD1HSD17B10
SCHEMBL9824883 0.77 OPRD1 (0.34) S1PR1S1PR3S1PR5OPRD1TSHR
SCHEMBL9824106 0.77 S1PR1 (0.37) S1PR1S1PR3S1PR5OPRD1HSD17B10
SCHEMBL16373740 0.77 CARM1 (0.44) CARM1PRMT6PRMT8S1PR1S1PR3
SCHEMBL12477813 0.76 S1PR1 (0.42) CARM1PRMT6PRMT8S1PR1S1PR3

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