SCHEMBL14740679

SCHEMBL14740679

CCOC(=O)C1CCCC(c2ccc(F)cc2)N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
SCN3A Q9NY46 3/20 0.46
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4637528 0.92 KCNH2 (0.56) KCNH2SCN3AMEN1KMT2AALDH1A1
SCHEMBL4637526 0.92 KCNH2 (0.56) KCNH2SCN3AMEN1KMT2AALDH1A1
SCHEMBL3585032 0.92 KCNH2 (0.56) KCNH2SCN3AMEN1KMT2AALDH1A1
SCHEMBL2350627 0.92 KCNH2 (0.56) KCNH2SCN3AMEN1KMT2AALDH1A1
SCHEMBL3585037 0.92 KCNH2 (0.56) KCNH2SCN3AMEN1KMT2AALDH1A1
SCHEMBL8258775 0.87 KCNH2 (0.41) KCNH2SCN3ATSHRMEN1KMT2A
SCHEMBL27771931 0.85 KCNH2 (0.51) KCNH2SCN3A
SCHEMBL4089338 0.79 KCNH2 (0.52) KCNH2SCN3AALDH1A1
SCHEMBL2346176 0.78 MEN1 (0.47) KCNH2SCN3ATSHRMEN1KMT2A
SCHEMBL28908009 0.78 KCNH2 (0.41) KCNH2SCN3AALDH1A1TDP1

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-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 WO disclosed