SCHEMBL6957641

SCHEMBL6957641

COc1ccc(C)cc1C1(c2ccc(C)cc2)CCN(CCC(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
LPAR1 Q92633 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL6963309 0.86 CACNA1G (0.41) DRD2OPRM1OPRK1OPRL1KMT2A
SCHEMBL6967164 0.84 OPRM1 (0.37) PDE4APDE4BPDE4CPDE4DDRD2
SCHEMBL6969857 0.82 DRD3 (0.43) DRD3OPRM1OPRD1ADRA1ATACR2
SCHEMBL6962110 0.79 OPRM1 (0.51) DRD2DRD4DRD3OPRM1KMT2A
SCHEMBL8168664 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL6197260 0.76 ADRA1A (0.42) DRD2DRD3KMT2AMEN1ADRA1D
SCHEMBL6215791 0.74 DRD2 (0.58) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL6968347 0.72 MMP9 (0.44) KMT2AMEN1ADRA1DADRA1AADRA1B
SCHEMBL8164638 0.70 DRD2 (0.51) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL6968366 0.70 ADRA1A (0.54) DRD2DRD4OPRM1OPRD1OPRK1

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