SCHEMBL6961793

SCHEMBL6961793

CCc1c(C(=O)OC)ccc(C2CCNCC2)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
PLAT P00750 3/20 0.40
PTGER4 P35408 1/20 0.40
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
HTR1F P30939 2/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6966863 0.83 PTGER4 (0.39) HTR2CPLATPTGER4PDK2PDK4
SCHEMBL28974014 0.76 PDK2 (0.40) PTGER4PDK2PDK4KDM4EMAPK1
SCHEMBL30280912 0.74 DRD2 (0.47) PDK2PDK4KDM4EMAPK1GAA
SCHEMBL6603825 0.74 HTR6 (0.48) HTR2CPLATPDK2PDK4HTR6
SCHEMBL28974087 0.74 KDM4E (0.38) PTGER4PDK2PDK4KDM4EMAPK1
SCHEMBL17397553 0.73 CHRNB2 (0.46) HTR2CPLATHTR6KDM4EALDH1A1
SCHEMBL4431279 0.73 HTR2C (0.55) HTR2CPLATPDK2PDK4KDM4E
SCHEMBL28240612 0.72 TDP1 (0.42) HTR2CPLATKDM4EALDH1A1
SCHEMBL11060507 0.72 KDM4E (0.44) PTGER4PDK2PDK4KDM4EGAA
SCHEMBL30281099 0.72 DRD2 (0.45) PDK2PDK4KDM4EMAPK1ALDH1A1

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