SCHEMBL8086288

SCHEMBL8086288

N=C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
CNR1 P21554 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EPHX2 P34913 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR142 Q7Z601 1/20 0.48
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KCNQ2 O43526 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
LMNA P02545 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
SCHEMBL20349607 0.86 KMT2A (1.00) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL9563917 0.85 KMT2A (0.97) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL18724726 0.83 MEN1 (0.78) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL10576190 0.83 MEN1 (0.78) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL19745509 0.82 KMT2A (0.76) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL19204683 0.82 MEN1 (0.76) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL11741945 0.81 MEN1 (0.66) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL10589645 0.80 KMT2A (0.72) KMT2AMEN1CNR1EPHX2ALDH1A1
SCHEMBL4377309 0.78 HRH3 (0.74) KMT2AMEN1CNR1CYP1A2CYP3A4
SCHEMBL16002963 0.78 MEN1 (0.69) KMT2AMEN1CNR1CYP1A2CYP3A4

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-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed