SCHEMBL13185366

SCHEMBL13185366

CCc1ccc(CNCCCNC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
CHRM2 P08172 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
S1PR2 O95136 2/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MAOA P21397 1/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL13186206 0.88 L3MBTL1 (0.56) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL17757708 0.85 CHRM2 (0.67) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL2939739 0.83 L3MBTL1 (0.64) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL11583474 0.82 MAOA (0.69) L3MBTL1CHRM2MAOAKDM4ETDP1
SCHEMBL18753925 0.81 HRH4 (0.59) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL25018783 0.80 HRH4 (0.75) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL21361201 0.80 HRH4 (0.75) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL10875163 0.80 MC4R (0.54) HRH4HRH3L3MBTL1LMNACHRM2
SCHEMBL13166768 0.79 HDAC3 (0.53) HRH4HRH3CHRM2SMN1; SMN2KDM4E
SCHEMBL14524456 0.79 L3MBTL1 (0.56) HRH4HRH3L3MBTL1LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed