SCHEMBL3124652

SCHEMBL3124652

FC(F)(F)c1cccc(N2CC[N]CC2)c1.Fc1ccccc1N1CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 4/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 4/20 0.51
THRB P10828 1/20 0.51
DHFR P00374 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL220303 0.87 ALDH1A1 (0.66) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL3124656 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL217911 0.80 SMN1; SMN2 (0.51) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL28226906 0.76 ALDH1A1 (0.77) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL11091530 0.74 MAPT (0.59) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL18998073 0.73 TSHR (0.68) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL12706910 0.73 ALDH1A1 (0.72) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL3722272 0.72 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMAPK1SIGMAR1
SCHEMBL9579248 0.72 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ASIGMAR1
SCHEMBL11709526 0.72 DHFR (0.54) ALDH1A1TSHRMEN1KMT2AMAPK1

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed