SCHEMBL8410055

SCHEMBL8410055

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.57
P2RX3 P56373 7/20 0.50
EGLN1 Q9GZT9 1/20 0.47
ACACB O00763 3/20 0.46
PDE4B Q07343 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRD5A2 P31213 1/20 0.43
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MMP2 P08253 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
SCHEMBL8411968 0.83 OPRM1 (0.57) OPRM1P2RX3ACACBL3MBTL1OPRD1
SCHEMBL3177956 0.83 OPRM1 (0.58) OPRM1P2RX3EGLN1ACACBPDE4B
SCHEMBL6917099 0.82 SRD5A2 (0.57) SRD5A2MMP2
SCHEMBL1222601 0.82 OPRM1 (0.51) OPRM1P2RX3ACACBPDE4BSRD5A2
SCHEMBL8016836 0.80 OPRM1 (0.58) OPRM1P2RX3EGLN1ACACBPDE4B
SCHEMBL6161241 0.80 OPRM1 (0.58) OPRM1P2RX3ACACBPDE4BGAA
SCHEMBL3692227 0.78 OPRM1 (0.62) OPRM1P2RX3ACACBPDE4BGAA
SCHEMBL3693450 0.78 PARP10 (0.68) OPRM1PDE4BFPR2SCN9AOPRD1
SCHEMBL6158872 0.78 OPRM1 (0.61) OPRM1ACACBPDE4B
SCHEMBL7452934 0.77 SRD5A2 (0.54) OPRM1EGLN1ACACBSRD5A2OPRD1

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-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