SCHEMBL6964398

SCHEMBL6964398

CC(=O)OC1(c2ccccc2)CCN(CCCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.52
ADRA1D P25100 4/20 0.50
ADRA1B P35368 3/20 0.50
HTT P42858 1/20 0.49
DRD3 P35462 2/20 0.48
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA3 P22001 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
TGM2 P21980 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43

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
SCHEMBL6963778 0.84 SIGMAR1 (0.60) ADRA1AHTTKEAP1NFE2L2ALDH1A1
SCHEMBL28649504 0.81 KEAP1 (0.61) HTTKEAP1NFE2L2ALDH1A1LMNA
SCHEMBL20389719 0.80 HTT (0.60) HTTKEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29529291 0.80 HTT (0.60) HTTKEAP1NFE2L2ALDH1A1LMNA
SCHEMBL614396 0.80 DRD3 (0.52) DRD3KCNA3OPRK1DRD2DRD4
SCHEMBL6966092 0.79 DRD3 (0.57) ADRA1AADRA1DADRA1BDRD3KCNA3
SCHEMBL30750669 0.79 HTT (0.59) HTTKEAP1NFE2L2ALDH1A1LMNA
SCHEMBL12195307 0.78 HTT (0.61) HTTKEAP1NFE2L2ALDH1A1LMNA
SCHEMBL23705632 0.78 HTT (0.52) ADRA1AHTTKEAP1NFE2L2ALDH1A1
SCHEMBL13737251 0.77 HTT (0.60) HTTKEAP1NFE2L2ALDH1A1LMNA

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