SCHEMBL4735555

SCHEMBL4735555

O=C(c1cccnc1)N(Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
OPRM1 P35372 2/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRD1 P41143 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM2 P08172 1/20 0.43
SMO Q99835 1/20 0.42
HTT P42858 1/20 0.42
NPBWR1 P48145 1/20 0.42

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
SCHEMBL4785409 0.92 TSHR (0.52) TSHRGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4737126 0.90 TSHR (0.48) TSHRGAAOPRM1OPRK1ALDH1A1
SCHEMBL4733666 0.90 OPRM1 (0.49) TSHROPRM1OPRK1ALDH1A1KDM4E
SCHEMBL4739086 0.89 TSHR (0.52) TSHRGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4736483 0.89 TSHR (0.47) TSHRGAAOPRM1OPRK1ALDH1A1
SCHEMBL4736584 0.88 TSHR (0.51) TSHRGAAOPRM1OPRK1ALDH1A1
SCHEMBL4738239 0.88 TSHR (0.49) TSHRGAAOPRM1OPRK1ALDH1A1
SCHEMBL4735150 0.87 TSHR (0.51) TSHRGAAOPRM1OPRK1ALDH1A1
SCHEMBL4736577 0.86 TSHR (0.49) TSHRGAAALDH1A1KDM4EMAPT
SCHEMBL4784137 0.86 PDK1 (0.50) TSHRGAAALDH1A1KDM4ESMN1; SMN2

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