SCHEMBL6966482

SCHEMBL6966482

O=C1NCC(c2ccc(F)c(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MGLL Q99685 6/20 0.41
FAAH O00519 5/20 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
SCHEMBL8328132 0.90 MGLL (0.41) CYP1A2CYP2D6MGLLFAAH
SCHEMBL5661991 0.82 MGLL (0.42) CYP1A2CYP2D6MGLLFAAH
SCHEMBL5661272 0.82 MGLL (0.42) CYP1A2CYP2D6MGLLFAAH
SCHEMBL5663686 0.82 MGLL (0.42) CYP1A2CYP2D6MGLLFAAH
SCHEMBL7232423 0.81 MGLL (0.39) CYP1A2CYP2D6MGLLFAAH
SCHEMBL7564445 0.80 MGLL (0.39) CYP1A2CYP2D6MGLLFAAH
SCHEMBL7962604 0.80 CYP1A2 (0.41) CYP1A2CYP2D6MGLLFAAH
SCHEMBL7674563 0.78 CRHBP (0.47) CYP1A2CYP2D6MGLL
SCHEMBL7674567 0.78 CRHBP (0.47) CYP1A2CYP2D6MGLL
SCHEMBL6956458 0.77 MGLL (0.40) CYP1A2CYP2D6MGLLFAAH

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