SCHEMBL4045659

SCHEMBL4045659

COc1ccccc1-c1cnn(CCN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.56
KCNH2 Q12809 1/20 0.56
HTR3A P46098 1/20 0.47
POLB P06746 2/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42

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
Oxalic Acid SCHEMBL2575889 0.93 KDM4E (0.55) HRH3KCNH2HTR3APOLBKDM4E
SCHEMBL28822500 0.83 SIGMAR1 (0.51) HRH3ALDH1A1SIGMAR1CYP1A2CYP2D6
SCHEMBL2580794 0.80 HRH3 (0.44) HRH3KDM4ESMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL1386769 0.79 L3MBTL1 (0.53) HRH3KCNH2SIGMAR1CYP1A2CYP2D6
SCHEMBL2579736 0.79 HRH3 (0.44) HRH3POLBKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2579635 0.79 HRH3 (0.43) HRH3KDM4EALDH1A1KMT2ASIGMAR1
SCHEMBL2579473 0.78 HRH3 (0.51) HRH3KCNH2HTR3APOLBKDM4E
SCHEMBL7915834 0.77 BRD4 (0.50)
SCHEMBL28033721 0.77 SIGMAR1 (0.54) ALDH1A1SIGMAR1CYP1A2CYP2D6LMNA
Hydrochloric Acid SCHEMBL2581299 0.77 HRH3 (0.50) HRH3KCNH2HTR3APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed