SCHEMBL4738710

SCHEMBL4738710

O=C(c1ccco1)N(Cc1ccc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.43
DRD4 P21917 4/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL4737984 0.93 ALDH1A1 (0.53) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4739792 0.91 LMNA (0.49) LMNAALDH1A1KDM4ETSHRCYP3A4
SCHEMBL4734088 0.91 LMNA (0.53) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4735586 0.90 LMNA (0.53) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4735444 0.90 LMNA (0.52) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4735594 0.89 OPRM1 (0.48) LMNAALDH1A1KDM4ETSHRDRD4
SCHEMBL4738686 0.88 OPRM1 (0.55) LMNAALDH1A1KDM4ETSHRDRD4
SCHEMBL4740309 0.87 LMNA (0.46) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4737347 0.85 DRD4 (0.43) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4736215 0.85 LMNA (0.48) LMNAALDH1A1KDM4ETSHRSMN1; 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 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