SCHEMBL4783583

SCHEMBL4783583

NCC1CN(c2cc(F)c(C3CCP(=O)(c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
GRM2 Q14416 2/20 0.40
CALML3 P27482 7/20 0.40
MAOB P27338 5/20 0.38
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36

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
SCHEMBL13939900 0.79 F10 (0.46) F10CALML3MAOBMAOA
SCHEMBL4787446 0.78 MAOA (0.45) F10GRM2CALML3MAOA
SCHEMBL4742211 0.76 GRM2 (0.43) GRM2CALML3MAOB
SCHEMBL4741596 0.76 MAOA (0.56) F10CALML3MAOBLMNAMAOA
SCHEMBL4741910 0.75 MAOB (0.46) F10CALML3MAOBLMNAMAOA
SCHEMBL5764299 0.74 F10 (0.42) F10CALML3MAOBMAOA
SCHEMBL2901464 0.73 F10 (0.52) F10GRM2CALML3MAOBMAOA
SCHEMBL2896810 0.73 F10 (0.52) F10GRM2CALML3MAOBMAOA
SCHEMBL14370660 0.73 F10 (0.48) F10GRM2CALML3MAOBMAOA
SCHEMBL5375004 0.73 F10 (0.48) F10GRM2CALML3MAOBMAOA

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-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 WO disclosed