SCHEMBL14149754

SCHEMBL14149754

NC1CC(Cc2ccccn2)CC(NCc2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
KDM1A O60341 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
CHRM2 P08172 2/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLS O94925 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL801282 0.90 MAOA (0.52) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL5539196 0.81 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL1732541 0.81 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL29785655 0.81 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL2689895 0.78 MAOA (0.44) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL17592449 0.75 HRH1 (0.42) MAOAMAOBKDM1ASMN1; SMN2HPGD
SCHEMBL662711 0.74 MAOA (0.57) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4799055 0.73 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL13280435 0.72 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
SCHEMBL14862724 0.71 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1

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
WO-2008073961-A9 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST UNIV EMORY (US) 2008-07-31 WO disclosed
WO-2008073961-A2 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST EMORY UNIVERSITY (US) 2008-06-19 WO disclosed