SCHEMBL7100019

SCHEMBL7100019

c1c[nH]c(CCCN2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
HRH3 Q9Y5N1 9/20 0.51
KCNH2 Q12809 1/20 0.51
HRH4 Q9H3N8 6/20 0.45
TBXAS1 P24557 2/20 0.44
PARP1 P09874 1/20 0.44
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HRH1 P35367 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9866240 0.98 ALOX15 (0.53) ALOX15HRH3KCNH2HRH4TBXAS1
SCHEMBL7455224 0.90 ALOX15 (0.55) ALOX15HRH3KCNH2HRH4TBXAS1
Hydrochloric Acid SCHEMBL28306930 0.88 ALOX15 (0.53) ALOX15HRH3KCNH2HRH4TBXAS1
SCHEMBL9867321 0.84 ALOX15 (0.49) ALOX15HRH3KCNH2TBXAS1PARP1
Bicarbonate SCHEMBL28339489 0.83 TBXAS1 (0.48) ALOX15HRH3KCNH2TBXAS1CYP1A2
Formic Acid SCHEMBL28874959 0.81 ALOX15 (0.46) ALOX15HRH3KCNH2HRH4TBXAS1
SCHEMBL27279466 0.81 ALOX15 (0.49) ALOX15HRH3KCNH2HRH4TBXAS1
SCHEMBL17887905 0.79 SIGMAR1 (0.45) ALOX15HRH3KCNH2HRH4HRH1
SCHEMBL18325377 0.79 ALOX15 (0.81) ALOX15HRH3KCNH2HRH4PARP1
SCHEMBL807358 0.79 ALOX15 (0.81) ALOX15HRH3KCNH2HRH4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051144-B1 USE OF HETEROCYCLIC QUATERNARY POLYAMMONIUM POLYMERS AS PROTECTIVE AGENT FOR KERATIN FIBRES AND COSMETIC COMPOSITIONS OREAL (FR) 2003-09-03 EP disclosed
US-6416770-B1 Use of heterocyclic quaternary polyammonium polymers as protective agent for keratin fibres and cosmetic compositions L'ORéAL S.A. (FR) 2002-07-09 US disclosed
EP-1051144-A1 USE OF HETEROCYCLIC QUATERNARY POLYAMMONIUM POLYMERS AS PROTECTIVE AGENT FOR KERATIN FIBRES AND COSMETIC COMPOSITIONS L'OREAL (FR) 2000-11-15 EP disclosed
WO-1999037276-A1 USE OF HETEROCYCLIC QUATERNARY POLYAMMONIUM POLYMERS AS PROTECTIVE AGENT FOR KERATIN FIBRES AND COSMETIC COMPOSITIONS L'OREAL (FR) 1999-07-29 WO disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
US-5011838-A Antiallergens, antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-04-30 US disclosed
EP-0397615-A2 Pharmacologically active 2-substituted 3-(2-ethoxyethyl) imidazo [4,5-b] pyridines and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP disclosed