SCHEMBL6969864

SCHEMBL6969864

COc1ccc(Br)cc1C1(c2ccccc2)CCN(CCCN)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
SLC6A1 P30531 1/20 0.40
SLC6A12 P48065 1/20 0.40
SLC6A11 P48066 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
ADRA1A P35348 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
EBP Q15125 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DRD3 P35462 2/20 0.39
EBPL Q9BY08 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6197260 0.88 ADRA1A (0.42) HTR7SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL7225736 0.87 HTR2A (0.42) HTR7SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL6969857 0.84 DRD3 (0.43) ADRA1ASIGMAR1DRD3
SCHEMBL7079236 0.81 DRD2 (0.57) ADRA1ASIGMAR1DRD3DRD2
SCHEMBL7234932 0.80 DRD2 (0.42) HTR7SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL6963314 0.80 HTR2A (0.44) HTR7SLC6A1SLC6A12SLC6A11SLC6A13
SCHEMBL6199339 0.76 DRD2 (0.45) HTR7ADRA1ASIGMAR1EBPTMEM97
SCHEMBL6195779 0.76 SIGMAR1 (0.57) HTR7ADRA1ASIGMAR1CYP2D6
SCHEMBL6196180 0.76 HSD17B10 (0.57) HTR7SLC6A1SLC6A12SLC6A11ADRA1A
Hydrochloric Acid SCHEMBL6967332 0.75 OPRM1 (0.49) SIGMAR1DRD2

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