SCHEMBL11086633

SCHEMBL11086633

CCN(CC)CCCCC1(C(=O)N(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL11084778 0.82 SCN1A (0.41) SCN1ASCN2ASCN3AALDH1A1SIGMAR1
SCHEMBL7046510 0.80 PDK2 (0.43)
SCHEMBL30396503 0.76 SIGMAR1 (0.45) ALDH1A1SIGMAR1BCHEACHE
SCHEMBL10774898 0.76 RAB9A (0.40) ALDH1A1
SCHEMBL11092008 0.76 KDM4E (0.41) ALDH1A1
SCHEMBL11092711 0.74 APEX1 (0.37) ALDH1A1
SCHEMBL11087470 0.73 ICMT (0.47)
SCHEMBL11090848 0.71 SIGMAR1 (0.41) SCN1ASCN2ASCN3AALDH1A1SIGMAR1
SCHEMBL17742236 0.70 THRB (0.53)
SCHEMBL11082307 0.70 KDM4E (0.47) LMNACYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452745-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
EP-0018076-B1 9-AMINOALKYLFLUORENES, PROCESS THEREFOR AND ANTIARRHYTHMIC FORMULATIONS THEREOF ELI LILLY AND COMPANY (US) 1983-09-21 EP disclosed
US-4382093-A 9-Aminoalkylfluorenes ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4277495-A FLUORENE 9-AMINOALKYL-9-CARBOXYLIC ACIDS OR ESTERS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed
EP-0018076-A1 9-Aminoalkylfluorenes, process therefor and antiarrhythmic formulations thereof ELI LILLY AND COMPANY (US) 1980-10-29 EP disclosed