SCHEMBL3400237

SCHEMBL3400237

CCC(O)C(N)C(C)Oc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.45
SCN5A Q14524 3/20 0.45
LMNA P02545 2/20 0.45
SCN1A P35498 2/20 0.45
SCN9A Q15858 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
NFKB1 P19838 2/20 0.45
TSHR P16473 2/20 0.45
MAOA P21397 2/20 0.45
CYP2C9 P11712 1/20 0.45
KCNK3 O14649 1/20 0.45
CACNA1F O60840 1/20 0.45
KCNK2 O95069 1/20 0.45
GBA1 P04062 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45
SCN7A Q01118 1/20 0.45

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
SCHEMBL3399253 0.83 SCN4A (0.46) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL3402150 0.81 SCN4A (0.46) SCN4ASCN5ALMNASCN1ASCN9A
Hydrochloric Acid SCHEMBL3402328 0.79 SCN5A (0.46) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL3397868 0.76 SCN4A (0.46) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL3400184 0.75 MAPT (0.36) LMNA
SCHEMBL6272675 0.73 SCN4A (0.50) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL30173674 0.73 TSHR (0.43) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL9201474 0.70 SCN4A (0.55) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL515979 0.70 SCN4A (0.45) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL19668682 0.70 SCN4A (0.51) SCN4ASCN5ALMNASCN1ASCN9A

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-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
CN-106431941-A DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE 雅盖隆大学 2017-02-22 CN disclosed