SCHEMBL8236802

SCHEMBL8236802

CCC(C)C(=O)N1CCCC(c2nc(-c3cccc(Cl)c3)no2)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.69
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
PKM P14618 1/20 0.66
HSD11B1 P28845 2/20 0.64
SMN1; SMN2 Q16637 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
SCHEMBL5308671 0.91 GRM5 (0.74) GRM5HSD11B1
SCHEMBL5330906 0.85 GRM5 (0.74) GRM5HSD11B1
SCHEMBL8235677 0.83 GRM5 (0.94) GRM5HSD11B1
SCHEMBL8243206 0.82 GRM5 (0.73) GRM5HSD11B1
SCHEMBL5310802 0.82 GRM5 (1.00) GRM5HSD11B1
SCHEMBL8236805 0.82 GRM5 (0.96) GRM5HSD11B1
SCHEMBL5332084 0.82 GRM5 (0.69) GRM5
SCHEMBL8243208 0.81 GRM5 (0.72) GRM5HSD11B1
SCHEMBL8245724 0.81 GRM5 (0.78) GRM5HSD11B1
SCHEMBL8244502 0.81 GRM5 (0.94) GRM5HSD11B1

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-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed