SCHEMBL2937460

SCHEMBL2937460

CC(=O)c1cnn(-c2ccc(OCCCn3cccc3C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ALKBH1 Q13686 1/20 0.39
HPGDS O60760 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL2936786 0.90 MAPKAPK2 (0.47) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL2938655 0.90 HPGDS (0.49) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL2937597 0.83 HRH3 (0.67) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL2943744 0.81 HRH3 (0.64) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL1178737 0.75 HRH3 (0.75) HRH3
SCHEMBL13211577 0.72 HRH3 (0.40) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL12301206 0.71 KCNA3 (0.50) HRH3SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4118702 0.70 ALKBH2 (0.74) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL1550997 0.67 HPGDS (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL6727074 0.67 HRH3 (0.75) HRH3

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
EP-2221298-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-08-25 EP disclosed