SCHEMBL8290372

SCHEMBL8290372

O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccc([N+](=O)O)cc3)no2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.85
CLPP Q16740 1/20 0.85
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
POLB P06746 1/20 0.68
TSHR P16473 3/20 0.65
PKM P14618 1/20 0.65
HSD11B1 P28845 3/20 0.65
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 2/20 0.59

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
SCHEMBL192098 0.92 GRM5 (1.00) GRM5CLPPMEN1KMT2APOLB
SCHEMBL192099 0.92 GRM5 (1.00) GRM5CLPPMEN1KMT2APOLB
SCHEMBL193680 0.92 GRM5 (1.00) GRM5CLPPMEN1KMT2APOLB
SCHEMBL193636 0.91 GRM5 (0.83) GRM5CLPPMEN1KMT2APOLB
SCHEMBL193637 0.91 GRM5 (0.83) GRM5CLPPMEN1KMT2APOLB
SCHEMBL192848 0.87 GRM5 (0.90) GRM5CLPPMEN1KMT2APOLB
SCHEMBL192847 0.87 GRM5 (0.90) GRM5CLPPMEN1KMT2APOLB
SCHEMBL192635 0.87 GRM5 (0.90) GRM5CLPPMEN1KMT2APOLB
SCHEMBL193123 0.87 GRM5 (0.90) GRM5CLPPMEN1KMT2APOLB
SCHEMBL192636 0.87 GRM5 (0.90) GRM5CLPPMEN1KMT2APOLB

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
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed