SCHEMBL7363345

SCHEMBL7363345

O=C(Nc1ccccc1NC(=O)C(F)(F)F)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
RXFP1 Q9HBX9 8/20 0.48
JAK2 O60674 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KLK7 P49862 1/20 0.45
CETP P11597 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAOB P27338 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1817247 0.83 POLB (0.61) SIRT2RXFP1MAPTPOLBALDH1A1
SCHEMBL13588433 0.81 SMN1; SMN2 (0.59) SIRT2RXFP1HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL7363342 0.79 SIRT2 (0.65) SIRT2RXFP1TP53ALDH1A1KDM4E
SCHEMBL11747871 0.78 SIRT2 (0.64) SIRT2RXFP1MAPTCETPHDAC3
SCHEMBL31367875 0.77 SIRT2 (0.59) SIRT2RXFP1ALDH1A1KDM4EMEN1
SCHEMBL31098661 0.75 HTR6 (0.60) SIRT2ALDH1A1HTR6KDM4ESMN1; SMN2
SCHEMBL8132848 0.74 SMN1; SMN2 (0.74) JAK2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL29361009 0.74 SMN1; SMN2 (0.74) JAK2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL13981695 0.74 QDPR (0.54)
SCHEMBL641080 0.74 GAA (0.62) SIRT2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed