SCHEMBL9824977

SCHEMBL9824977

NCCN1CCCC(CN2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.55
ADRA2C P18825 1/20 0.55
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
PRMT3 O60678 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CCR2 P41597 1/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 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
SCHEMBL9824201 1.00 CHRM5 (0.55) CHRM5ADRA2CACHEALOX15SMN1; SMN2
SCHEMBL9824407 0.93 CHRM5 (0.50) CHRM5ADRA2CACHEALOX15SMN1; SMN2
SCHEMBL9824505 0.84 ALOX15 (0.41) CHRM5ADRA2CALOX15HRH3CARM1
SCHEMBL8372524 0.81 CHRM5 (0.55) CHRM5ADRA2CACHE
SCHEMBL11615967 0.81 ALOX15 (0.41) CHRM5ADRA2CALOX15KDM4ECARM1
SCHEMBL9824888 0.81 HRH3 (0.41) CHRM5ADRA2CALOX15HRH3
SCHEMBL3897612 0.79 CYP2D6 (0.45) ALOX15KDM4ECARM1PRMT6PRMT3
SCHEMBL10064309 0.79 CYP2D6 (0.45) ALOX15KDM4ECARM1PRMT6PRMT3
SCHEMBL7797268 0.79 CHRM5 (0.52) CHRM5ADRA2CACHESMN1; SMN2KDM4E
SCHEMBL22953689 0.79 CHRM5 (0.61) CHRM5ADRA2CACHESMN1; SMN2KDM4E

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