SCHEMBL18236306

SCHEMBL18236306

O=C(CC1CCN(C(=O)C(F)(F)F)CC1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NAMPT P43490 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
EPHX2 P34913 2/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.42
RIPK1 Q13546 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC9A1 P19634 1/20 0.41
CYP2C19 P33261 1/20 0.41
RBP4 P02753 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL18230248 0.80 CES2 (0.53) L3MBTL1CTNNB1WNT3AALDH1A1SMN1; SMN2
SCHEMBL13391117 0.79 GPR119 (0.60) KDM4E
SCHEMBL7759502 0.76 HPGD (0.57) L3MBTL1CTNNB1WNT3AEPHX2ALDH1A1
SCHEMBL38661644 0.74 CTNNB1 (0.44) L3MBTL1CTNNB1WNT3AALDH1A1SMN1; SMN2
SCHEMBL18230251 0.74 GRM4 (0.47) L3MBTL1CTNNB1WNT3AALDH1A1RIPK1
SCHEMBL18230433 0.74 MAOB (0.51) L3MBTL1CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL4768006 0.72 CYP2C9 (0.64) CYP2C9CYP2C19GAA
SCHEMBL2224365 0.71 L3MBTL1 (0.69) L3MBTL1NAMPTEPHX2EPHX1ALDH1A1
SCHEMBL13913916 0.71 TEAD1 (0.67) ALDH1A1KDM1A
SCHEMBL12120400 0.71 L3MBTL1 (0.63) L3MBTL1NAMPTEPHX2EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 WO disclosed