SCHEMBL4783429

SCHEMBL4783429

O=C1O[C@H](CO)CN1c1ccc(N2CC[C@H](Oc3ccccc3F)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
CALML3 P27482 6/20 0.44
GRM2 Q14416 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RET P07949 1/20 0.38

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
SCHEMBL4778998 1.00 F10 (0.44) F10CALML3GRM2MAOAMAOB
SCHEMBL4728137 0.95 CALML3 (0.45) F10CALML3GRM2MAOAMAOB
SCHEMBL14870459 0.85 MAOA (0.46) F10GRM2MAOAMAOB
SCHEMBL4783206 0.84 GRM2 (0.53) F10GRM2
SCHEMBL4727923 0.84 GRM2 (0.53) F10GRM2
SCHEMBL4729855 0.84 SCD (0.49)
SCHEMBL17803781 0.84 SCD (0.49)
SCHEMBL4782698 0.78 F10 (0.46) F10CALML3GRM2MAOAMAOB
SCHEMBL4731364 0.77 MEN1 (0.45) RET
SCHEMBL14261417 0.76 CALML3 (0.52) F10CALML3GRM2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO claimed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed