SCHEMBL9669351

SCHEMBL9669351

CCN(CC)CCCCNC1c2ccccc2NC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CHRM2 P08172 7/20 0.45
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 2/20 0.38
CHRM5 P08912 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL9670156 0.96 BCHE (0.48) BCHEACHECHRM2CHRM4CHRM1
SCHEMBL9669494 0.92 BCHE (0.43) BCHEACHECHRM2CHRM4CHRM1
SCHEMBL9669370 0.84 BCHE (0.47) BCHEACHECHRM2ALDH1A1MAPT
SCHEMBL9669489 0.81 BCHE (0.59) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL9669472 0.80 CHEK1 (0.41) BCHEACHEALDH1A1APAF1NPC1
SCHEMBL10481169 0.76 BCHE (0.40) BCHEACHEALDH1A1HPGDALOX12
SCHEMBL10481158 0.73 BCHE (0.36) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL10338752 0.71 KDM4E (0.57) BCHEACHEALDH1A1MAPTKDM4E
SCHEMBL9595444 0.68 TSPO (0.59) BCHEACHECHRM2CHRM4CHRM1
SCHEMBL3259666 0.68 BCHE (0.89) BCHEACHEALOX15

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-0273401-B1 ISOINDOLIN-1-ONE DERIVATIVE AND ANTIARRHYTHMIC AGENT KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-11-11 EP disclosed
US-4849441-A Isoindolin-1-one derivative and antiarrhythmic agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-07-18 US disclosed
EP-0273401-A1 Isoindolin-1-one derivative and antiarrhythmic agent KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-07-06 EP disclosed