SCHEMBL6981970

SCHEMBL6981970

N#Cc1ccccc1OCCCCN1CCN2CCCCC2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
AVPR2 P30518 1/20 0.42
AVPR1A P37288 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
HRH3 Q9Y5N1 2/20 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
Fumaric Acid SCHEMBL5841954 0.92 KMT2A (0.50) MEN1KMT2AHTR1AHTR7KDM4E
Fumaric Acid SCHEMBL5841948 0.92 KMT2A (0.50) MEN1KMT2AHTR1AHTR7KDM4E
SCHEMBL6982652 0.82 HRH3 (0.42) HTR1AHTR7SIGMAR1HRH3
SCHEMBL5842805 0.81 HRH3 (0.63) MEN1SIGMAR1HRH3
SCHEMBL5841418 0.79 MGLL (0.50) KDM4EALDH1A1HRH3
SCHEMBL5840560 0.79 HRH3 (0.43) KDM4ESIGMAR1HRH3
SCHEMBL6976146 0.77 HRH3 (0.62) MEN1HRH3
SCHEMBL3583983 0.76 CYP2D6 (0.60) MEN1KMT2AHTR7KDM4EL3MBTL1
SCHEMBL5840444 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Fumaric Acid SCHEMBL5841727 0.76 ACHE (0.43) KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed