SCHEMBL3118355

SCHEMBL3118355

CN(C)c1ccc(C2CC[N]CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
ALDH1A1 P00352 8/20 0.44
TSHR P16473 3/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 2/20 0.40
PSMB5 P28074 1/20 0.40
PDGFRB P09619 1/20 0.38
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL2200195 0.89 SLC18A3 (0.42) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL8121053 0.81 SLC18A3 (0.60) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL26154043 0.81 SLC18A3 (0.56) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL10052123 0.79 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL1366969 0.78 LMNA (0.42) ALDH1A1TSHRHSD17B10PSMB5KDM4E
SCHEMBL3970629 0.77 SLC18A3 (0.43) SLC18A3ALDH1A1TDP1MAPTTP53
SCHEMBL1663395 0.76 SLC18A3 (0.55) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL10182294 0.76 SLC18A3 (0.59) SLC18A3ALDH1A1TSHRALOX15HSD17B10
Hydrochloric Acid SCHEMBL9255650 0.74 SLC18A3 (0.53) SLC18A3ALDH1A1TSHRALOX15HSD17B10
SCHEMBL14257946 0.74 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRALOX15HSD17B10

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