SCHEMBL4728137

SCHEMBL4728137

O=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.45
F10 P00742 1/20 0.43
RET P07949 1/20 0.42
GRM2 Q14416 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DCK P27707 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4783429 0.95 F10 (0.44) CALML3F10RETGRM2MAOA
SCHEMBL4778998 0.95 F10 (0.44) CALML3F10RETGRM2MAOA
SCHEMBL14870459 0.90 MAOA (0.46) F10GRM2MAOAMAOBHRH3
SCHEMBL4783206 0.89 GRM2 (0.53) F10GRM2
SCHEMBL4727923 0.89 GRM2 (0.53) F10GRM2
SCHEMBL4729855 0.88 SCD (0.49)
SCHEMBL17803781 0.88 SCD (0.49)
SCHEMBL4782698 0.82 F10 (0.46) CALML3F10GRM2MAOAMAOB
SCHEMBL14261417 0.78 CALML3 (0.52) CALML3F10GRM2MAOAMAOB
SCHEMBL14261644 0.78 CALML3 (0.52) CALML3F10GRM2MAOAMAOB

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