SCHEMBL6966940

SCHEMBL6966940

O=C(CCCl)N1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NOTUM Q6P988 1/20 0.43
ROCK1 Q13464 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
SCHEMBL30912017 0.90 DRD2 (0.64) DRD2DRD4L3MBTL1MAPTSMN1; SMN2
SCHEMBL21712168 0.90 DRD2 (0.64) DRD2DRD4L3MBTL1MAPTSMN1; SMN2
SCHEMBL8134006 0.87 DRD2 (0.58) DRD2DRD4L3MBTL1TSHRMAPT
SCHEMBL30911988 0.84 DRD2 (0.55) DRD2DRD4L3MBTL1TSHRMAPT
SCHEMBL30911996 0.84 DRD2 (0.55) DRD2DRD4L3MBTL1TSHRMAPT
SCHEMBL30911989 0.84 DRD2 (0.55) DRD2DRD4L3MBTL1TSHRMAPT
SCHEMBL30911973 0.84 DRD2 (0.55) DRD2DRD4L3MBTL1TSHRMAPT
SCHEMBL27872558 0.82 DRD2 (0.57) DRD2DRD4L3MBTL1MAPTSMN1; SMN2
SCHEMBL4425962 0.82 MAPT (0.57) DRD2DRD4L3MBTL1MAPTSMN1; SMN2
SCHEMBL29876823 0.82 MAPT (0.57) DRD2DRD4L3MBTL1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
CN-1172809-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 1998-02-11 CN disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed