SCHEMBL8411968

SCHEMBL8411968

N#Cc1ccc(Oc2ccc(CC(=O)OCc3ccccc3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 1/20 0.46
ACACB O00763 6/20 0.45
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
ACACA Q13085 3/20 0.43
P2RX3 P56373 3/20 0.43
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL8410055 0.83 OPRM1 (0.57) OPRM1L3MBTL1ACACBOPRD1OPRK1
SCHEMBL2658123 0.76 ALDH1A1 (0.77) ALDH1A1MAPK1L3MBTL1MAOBPRKCA
SCHEMBL28207459 0.76 ALDH1A1 (0.77) ALDH1A1MAPK1L3MBTL1MAOBPRKCA
SCHEMBL20867886 0.76 ALDH1A1 (0.77) ALDH1A1MAPK1L3MBTL1MAOBPRKCA
SCHEMBL6158872 0.76 OPRM1 (0.61) OPRM1ALDH1A1MAOBACACB
SCHEMBL3177956 0.75 OPRM1 (0.58) OPRM1L3MBTL1ACACBP2RX3
SCHEMBL10566464 0.74 RAB9A (0.56) ALDH1A1MAPK1L3MBTL1MAOB
SCHEMBL1222601 0.74 OPRM1 (0.51) OPRM1ALDH1A1ACACBOPRD1OPRK1
SCHEMBL201455 0.74 L3MBTL1 (0.48) OPRM1ALDH1A1L3MBTL1MAOBACACB
SCHEMBL6338656 0.73 ACACB (0.55) OPRM1MAOBACACBOPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822930-B1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-07-28 EP disclosed
US-5763463-A Pyridine compounds which are useful as pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-09 US disclosed
EP-0822930-A1 PYRIDINE DERIVATIVE AND PESTICIDE KumaiI Chemical Industry Co., Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033975-A1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-31 WO disclosed