SCHEMBL6956458

SCHEMBL6956458

O=C1NC(c2ccc(F)c(F)c2)CN1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
STING1 Q86WV6 1/20 0.39
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
SCHEMBL6966048 0.80 MGLL (0.40) MGLLCYP1A2CYP2D6FAAH
SCHEMBL6966482 0.77 CYP1A2 (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7564445 0.76 MGLL (0.39) MGLLCYP1A2CYP2D6FAAH
SCHEMBL8328132 0.76 MGLL (0.41) MGLLCYP1A2CYP2D6FAAH
SCHEMBL18447237 0.74 ADAMTS5 (0.39)
SCHEMBL5661991 0.74 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL5661272 0.74 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7674563 0.74 CRHBP (0.47) MGLLCYP1A2CYP2D6
SCHEMBL5663686 0.74 MGLL (0.42) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7674567 0.74 CRHBP (0.47) MGLLCYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed