SCHEMBL4783206

SCHEMBL4783206

O=C1O[C@@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
F10 P00742 1/20 0.47
SCD O00767 2/20 0.43

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
SCHEMBL4727923 1.00 GRM2 (0.53) GRM2F10SCD
SCHEMBL14870459 0.90 MAOA (0.46) GRM2F10SCD
SCHEMBL4782698 0.89 F10 (0.46) GRM2F10SCD
SCHEMBL4728137 0.89 CALML3 (0.45) GRM2F10
SCHEMBL17803781 0.86 SCD (0.49) SCD
SCHEMBL4729855 0.86 SCD (0.49) SCD
SCHEMBL4783429 0.84 F10 (0.44) GRM2F10
SCHEMBL4778998 0.84 F10 (0.44) GRM2F10
SCHEMBL14261417 0.78 CALML3 (0.52) GRM2F10
SCHEMBL14261644 0.78 CALML3 (0.52) GRM2F10

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