SCHEMBL6962865

SCHEMBL6962865

CSc1ccc(C2(c3ccc(F)cc3)CCN(CCC(N)=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
HTR1A P08908 4/20 0.41
SLC6A4 P31645 4/20 0.41
DRD3 P35462 4/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 3/20 0.41
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
HTR2B P41595 3/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 2/20 0.41
HTR7 P34969 2/20 0.41
ADRA2A P08913 3/20 0.40
ADRA1A P35348 3/20 0.40
OPRM1 P35372 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CHRM1 P11229 2/20 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
SCHEMBL8164638 0.90 DRD2 (0.51) DRD2HTR1ASLC6A4DRD3SLC6A3
SCHEMBL8163784 0.81 DRD2 (0.46) DRD2HTR1ASLC6A4DRD3SLC6A3
SCHEMBL7665768 0.79 DRD2 (0.66) DRD2HTR1ASLC6A4DRD3SLC6A3
Hydrochloric Acid SCHEMBL7658312 0.78 DRD2 (0.64) DRD2HTR1ASLC6A4DRD3SLC6A3
SCHEMBL6963309 0.76 CACNA1G (0.41) DRD2HTR1AHTR2AHTR2BOPRM1
SCHEMBL6968366 0.76 ADRA1A (0.54) DRD2HTR7ADRA1AOPRM1KCNH2
SCHEMBL7662402 0.75 DRD2 (0.46) DRD2HRH1ADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL7664056 0.74 DRD2 (0.45) DRD2HRH1ADRA2AADRA1AOPRM1
SCHEMBL6968347 0.71 MMP9 (0.44) ADRA2AADRA1AADRA2BADRA2CMEN1
SCHEMBL8156898 0.71 ADRA1A (0.47) DRD2HTR7ADRA1AOPRM1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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