SCHEMBL6969209

SCHEMBL6969209

C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1CCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.61
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 4/20 0.41
HTR7 P34969 4/20 0.41
HTR6 P50406 4/20 0.41
HTR2A P28223 2/20 0.40
HSD11B1 P28845 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6969344 1.00 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL7225700 0.84 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL3210395 0.75 DRD2 (0.60) HTR1AHTTKMT2ADRD2HTR7
SCHEMBL31321262 0.74 KMT2A (0.51) HTR1AHTTKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL31232826 0.72 HTR1A (0.57) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL1274938 0.72 HTT (0.73) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL28028679 0.71 ALDH1A1 (0.48) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL3435622 0.71 LMNA (0.50) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL29426374 0.71 HTT (0.68) HTTKMT2AALDH1A1LMNAHSD11B1
SCHEMBL3064690 0.71 HTT (0.68) HTTKMT2AALDH1A1LMNAHSD11B1

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