SCHEMBL6958116

SCHEMBL6958116

NCCCc1cc(N2CCCCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
LNPEP Q9UIQ6 2/20 0.46
ELOVL1 Q9BW60 1/20 0.45
MAP4K4 O95819 1/20 0.41
CHKA P35790 1/20 0.41
CXCR4 P61073 1/20 0.40
IP6K1 Q92551 2/20 0.39
TERT O14746 3/20 0.38
S100B P04271 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6963244 0.85 HRH4 (0.46) HRH4LNPEPELOVL1MAP4K4CHKA
SCHEMBL28585221 0.82 HRH4 (0.47) HRH4LNPEPELOVL1MAP4K4CHKA
SCHEMBL19996086 0.78 HRH4 (0.50) HRH4LNPEPELOVL1MAP4K4CHKA
Water SCHEMBL28114124 0.74 HRH4 (0.50) HRH4LNPEPELOVL1CHKACXCR4
SCHEMBL6262576 0.72 HRH4 (0.54) HRH4LNPEPELOVL1MAP4K4CHKA
SCHEMBL5847761 0.72 HRH4 (0.54) HRH4LNPEPELOVL1MAP4K4CHKA
Hydrochloric Acid SCHEMBL10496813 0.72 ACHE (0.48) HRH4LNPEPELOVL1MEN1ALDH1A1
SCHEMBL31342593 0.70 ELOVL1 (0.46) HRH4LNPEPELOVL1MEN1ALDH1A1
SCHEMBL1097561 0.70 CHKA (0.52) HRH4ELOVL1MAP4K4CHKAIP6K1
SCHEMBL15511395 0.69 HRH4 (0.55) HRH4CXCR4MEN1ALDH1A1GAA

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