SCHEMBL7256142

SCHEMBL7256142

O=C1O[C@@H](CCS(=O)(=O)O)CN1c1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.45
MAOA P21397 11/20 0.43
HTR6 P50406 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5625330 0.88 CALML3 (0.58) CALML3MAOACYP3A4
SCHEMBL6925097 0.88 CALML3 (0.58) CALML3MAOACYP3A4
SCHEMBL5236580 0.88 CALML3 (0.58) CALML3MAOACYP3A4
SCHEMBL4016280 0.87 CALML3 (0.47) CALML3MAOA
SCHEMBL7256130 0.87 CALML3 (0.47) CALML3MAOA
SCHEMBL5234671 0.85 MAOA (0.43) CALML3MAOA
SCHEMBL6918484 0.85 MAOA (0.43) CALML3MAOA
SCHEMBL6918489 0.85 MAOA (0.43) CALML3MAOA
SCHEMBL6924055 0.85 MAOA (0.43) CALML3MAOA
Trifluoroacetic Acid SCHEMBL5623895 0.84 CALML3 (0.54) CALML3MAOACYP3A4

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-2003097640-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2003-11-27 WO disclosed