SCHEMBL7004283

SCHEMBL7004283

O=C1O[C@H](Cc2nnn[nH]2)CN1c1ccc(-c2ncc[nH]2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
MAOA P21397 11/20 0.42
MAOB P27338 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6996606 0.85 MAOA (0.45) CALML3MAOAMAOBCYP3A4CYP2C19
SCHEMBL7840408 0.83 CALML3 (0.70) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL4723657 0.82 CALML3 (0.47) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL8822103 0.77 MAOA (0.66) CALML3MAOAMAOB
SCHEMBL6999280 0.77 CALML3 (0.49) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL4724953 0.77 GRM2 (0.44) CALML3
SCHEMBL4766969 0.77 CALML3 (0.50) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL8822111 0.76 CALML3 (0.46) CALML3MAOAMAOB
SCHEMBL7833972 0.75 MAOA (0.68) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL4003430 0.73 MAOA (0.65) CALML3MAOAMAOB

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
EP-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 WO disclosed