SCHEMBL9824407

SCHEMBL9824407

NCCN1CCC(CN2CCCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
ADRA2C P18825 1/20 0.50
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
NCF1 P14598 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
HRH1 P35367 1/20 0.31
CYP1A2 P05177 1/20 0.31

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 0.93 CHRM5 (0.55) CHRM5ADRA2CPRMT3CARM1PRMT6
SCHEMBL9824977 0.93 CHRM5 (0.55) CHRM5ADRA2CPRMT3CARM1PRMT6
SCHEMBL24724446 0.79 CHRM5 (0.47) CHRM5ADRA2CACHE
SCHEMBL20329800 0.78 CHRM5 (0.50) CHRM5ADRA2CACHESMN1; SMN2NCF1
SCHEMBL9823982 0.77 ALOX15 (0.46) CHRM5ADRA2CPRMT3CARM1PRMT6
SCHEMBL19155633 0.77 CHRM5 (0.59) CHRM5ADRA2CACHESMN1; SMN2NCF1
SCHEMBL9824505 0.76 ALOX15 (0.41) CHRM5ADRA2CPRMT3CARM1PRMT6
SCHEMBL24724537 0.76 CHRM5 (0.44) CHRM5ADRA2CGNAI3GNAO1GNAI1
SCHEMBL23598134 0.76 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2MAPT
SCHEMBL14469252 0.76 CHRM5 (0.58) CHRM5ADRA2CACHESMN1; SMN2NCF1

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