SCHEMBL2491068

SCHEMBL2491068

CN(C)CCc1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.50
CYP2D6 P10635 12/20 0.50
KCNH2 Q12809 8/20 0.50
CHRM1 P11229 2/20 0.50
HTR2A P28223 1/20 0.50
CHRNA7 P36544 1/20 0.48
POLB P06746 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR6 P50406 2/20 0.40
CYP3A4 P08684 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3964757 0.88 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1HTR2A
SCHEMBL12087476 0.83 CYP3A4 (0.38) HRH1CYP2D6KCNH2CHRM1HTR2A
SCHEMBL9054449 0.80 CHRNA7 (0.42) HRH1CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL3461681 0.78 CHRNB2 (0.45) HRH1CYP2D6KCNH2CHRM1HTR2A
Ethane SCHEMBL29272596 0.77 HRH1 (0.35) HRH1CYP2D6KCNH2CHRM1HTR2A
SCHEMBL309452 0.76
SCHEMBL978915 0.76
SCHEMBL30390174 0.76
SCHEMBL28362525 0.75 HSP90AA1 (0.40) HRH1CYP2D6KCNH2CHRM1HTR2A
SCHEMBL20882979 0.74 GAA (0.45) HRH1CYP2D6KCNH2CHRM1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
CN-102292826-A Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound 2011-12-21 CN disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-4188341-A Process for the production of (substituted) 2,6-dimethylanilines CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed
US-4183933-A TREATMENT OF MENTAL ILLNESS, NEUROSIS, BEHAVIORAL DISTURBANCES, INFLAMMATION, ANOREXIA, AND CARDIAC AND VASCULAR DISORDERS AB FERROSAN (SE) 1980-01-15 US disclosed