SCHEMBL9654053

SCHEMBL9654053

[CH2]CCCCOc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 3/20 0.52
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL367677 0.95 HRH3 (0.57) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL3024482 0.93 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL8778568 0.93 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7475821 0.90 DRD2 (0.58) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL30719663 0.86 MAPT (0.59) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7788133 0.85 HRH3 (0.52) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL72014 0.84 KCNH2 (0.55) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10556391 0.84 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10558691 0.84 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9570561 0.84 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2

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
US-5103060-A Useful for production of switches, waveguides for computers and preparation of polymers BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed