SCHEMBL8328132

SCHEMBL8328132

O=C1NCCC(c2ccc(F)c(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
FAAH O00519 3/20 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
SCHEMBL6966482 0.90 CYP1A2 (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7962604 0.82 CYP1A2 (0.41) MGLLCYP1A2CYP2D6FAAH
SCHEMBL5663686 0.81 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL5661272 0.81 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL5661991 0.81 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7232423 0.79 MGLL (0.39) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7674563 0.79 CRHBP (0.47) MGLLCYP1A2CYP2D6
SCHEMBL7564445 0.79 MGLL (0.39) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7674567 0.79 CRHBP (0.47) MGLLCYP1A2CYP2D6
SCHEMBL7226122 0.77 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH

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
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed