SCHEMBL3242500

SCHEMBL3242500

Cc1cc(N2CCOCC2)nc(C)c1CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AKT1 P31749 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 4/20 0.43
NUDT1 P36639 1/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL3095284 0.80 IKBKB (0.56) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL4260331 0.79 MAPT (0.46) ALDH1A1HPGDGAAALOX15HSD17B10
SCHEMBL14672518 0.79 KDM4E (0.54) ALDH1A1HPGDGAATSHRHSD17B10
SCHEMBL12099918 0.75 IKBKB (0.52) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL13174220 0.75 ALDH1A1 (0.52) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL972088 0.74 CRHBP (0.59) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL28989312 0.74 IKBKB (0.56) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL4259602 0.73 MAPT (0.48) ALDH1A1HPGDGAAKDM4EKMT2A
SCHEMBL3610060 0.72 CYP1A2 (0.57) IKBKBCRHBPCRHR2ALDH1A1GAA
SCHEMBL2130094 0.70 IKBKB (0.55) IKBKBCRHBPCRHR2ALDH1A1HPGD

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-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO claimed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP claimed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 WO claimed
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO disclosed
EP-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed