SCHEMBL6965438

SCHEMBL6965438

O=C1NC(c2ccc(F)c(F)c2)C(C2CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.43
CHRNB2 P17787 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL14587413 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL5662057 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL14587411 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7658515 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7655571 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL6964387 0.73 GRM5 (0.46) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL2836304 0.73 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7840974 0.73 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL6963296 0.73 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7078062 0.72 HTR2A (0.39) KDM1AMAOBSIRT2HTR2AHTR2C

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 11 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
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
WO-2000027816-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed