SCHEMBL4738359

SCHEMBL4738359

O=C(c1ccnnc1)N(Cc1csc(N2CCN(c3ccccn3)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD4 P21917 5/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
DRD3 P35462 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4735240 0.91 KDM4E (0.44) HTTDRD4TMEM97SIGMAR1HTR1A
SCHEMBL4737963 0.89 MEN1 (0.39) LMNAMAPTDRD4HTR1ACYP1A2
SCHEMBL4739654 0.87 LMNA (0.38) LMNAHTTNPC1MAPTRAB9A
SCHEMBL4738694 0.86 ACHE (0.43) LMNAMAPTDRD4SIGMAR1DRD2
SCHEMBL4739647 0.85 AR (0.43) LMNAHTTNPC1MAPTRAB9A
SCHEMBL4737079 0.85 MEN1 (0.38) HTTMAPTCXCR2KDM4EALDH1A1
SCHEMBL4734180 0.85 KDM4E (0.41) KDM4EALDH1A1TSHR
SCHEMBL3060048 0.83 LMNA (0.44) LMNAHTTNPC1MAPTRAB9A
SCHEMBL4737001 0.83 CYP3A4 (0.37) LMNAHTTMAPTMAPK1HTR1A
SCHEMBL4735114 0.83 SMN1; SMN2 (0.41) LMNAHTTNPC1MAPTRAB9A

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed