SCHEMBL6968045

SCHEMBL6968045

CC(C)(C)OC(=O)NCC(C)(O)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 2/20 0.36
KCNN4 O15554 1/20 0.35
GAA P10253 1/20 0.35
NQO2 P16083 1/20 0.35
SERPINE1 P05121 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL245327 0.77 CTSB (0.45) KDM4AAAK1NQO2
SCHEMBL29769069 0.75 GRM2 (0.49) KDM4AHDAC1GAA
SCHEMBL24999627 0.75 GRM2 (0.49) KDM4AHDAC1GAA
SCHEMBL28587432 0.74 CACNA1G (0.44) GAA
SCHEMBL21180476 0.73 CHRNA1 (0.43) KDM4AIDO1SERPINE1
SCHEMBL1825872 0.73 CA1 (0.43) GAA
SCHEMBL245178 0.73 SMN1; SMN2 (0.52) MMP13
SCHEMBL31294792 0.72 KCNN4 (0.46) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL13976038 0.72 EPHX2 (0.46) KDM4AHDAC6CACNA1HCACNA1BCACNA1C
SCHEMBL6715516 0.72 HPGD (0.48) KDM4AAAK1GAA

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