SCHEMBL6965725

SCHEMBL6965725

N#CC1(c2ccccc2)CCC(N2CCN(C(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.44
ADRA1A P35348 17/20 0.44
ADRA1B P35368 17/20 0.44
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8063243 0.88 ADRA1D (0.44) ADRA1DADRA1AADRA1B
SCHEMBL7217049 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BCYP2D6ALDH1A1
SCHEMBL8138891 0.77 ADRA1D (0.42) ADRA1DADRA1AADRA1BCYP2D6
Hydrochloric Acid SCHEMBL8018795 0.72 ADRA1A (0.47) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7141675 0.70 ADRA1A (0.55) ADRA1DADRA1AADRA1B
SCHEMBL7084988 0.70 ADRA1A (0.49) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7141672 0.70 ADRA1A (0.49) ADRA1DADRA1AADRA1B
SCHEMBL7747435 0.69 ADRA1D (0.39) ADRA1DADRA1AADRA1B
SCHEMBL6082708 0.69 MTOR (0.37) ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5660885 0.69 MTOR (0.37) ADRA1DADRA1AADRA1BALDH1A1

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