SCHEMBL11091509

SCHEMBL11091509

CCOC(=O)C1(CCCNC(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NMT2 O60551 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
NMT1 P30419 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MTTP P55157 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
SCHEMBL17051234 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Indecainide SCHEMBL121202 0.82 KDM4E (0.42) ALDH1A1KDM4EKMT2ATDP1
SCHEMBL11090876 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1MTTP
Indecainide SCHEMBL11086669 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1MTTP
Indecainide SCHEMBL121201 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1
Indecainide SCHEMBL29397898 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL11090502 0.80 KDM4E (0.41) ALDH1A1KDM4ETDP1MTTP
SCHEMBL11092008 0.80 KDM4E (0.41) ALDH1A1KDM4ETDP1MTTP
Indecainide SCHEMBL1649456 0.80 KDM4E (0.41) ALDH1A1KDM4ETDP1MTTP
SCHEMBL5863337 0.79 GLA (0.40) ALDH1A1MEN1KMT2AGLAMAPT

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 4 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
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