SCHEMBL9570637

SCHEMBL9570637

O=[N+]([O-])c1ccc(OCCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.69
DRD2 P14416 1/20 0.63
DRD4 P21917 1/20 0.63
DRD3 P35462 1/20 0.63
KCNH2 Q12809 3/20 0.62
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL9570561 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10554981 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10558691 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10559291 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10556391 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL5390369 1.00 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9570575 0.94 DRD2 (0.65) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28180993 0.93 DRD2 (0.74) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28180196 0.93 DRD2 (0.74) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28181096 0.93 DRD2 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed
US-4888409-A FROM TEREPHTHALIC ALDEHYDE AND BIS(4-AMINOPHENOXY)ALKANES ENIRICERCHE S.P.A. (IT) 1989-12-19 US disclosed
EP-0322943-A2 Thermotropic copolyazomethines and process for preparing them ENIRICERCHE S.p.A. (IT) 1989-07-05 EP disclosed