SCHEMBL5596598

SCHEMBL5596598

[c]1ccnc(N2CCC(Cc3ccccc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CCR3 P51677 2/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GRIN2B Q13224 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PRMT3 O60678 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44

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
SCHEMBL8119586 0.85 TSHR (0.64) TSHRCCR3MAPTSMN1; SMN2HTT
SCHEMBL5596677 0.80 CARM1 (0.45) LMNACARM1PRMT6PRMT8KDM4E
SCHEMBL11321905 0.77 TSHR (0.58) TSHRCCR3MAPTSMN1; SMN2HTT
SCHEMBL5801122 0.76 MAPT (0.66) TSHRMAPTSMN1; SMN2HTTNPC1
SCHEMBL14503465 0.74 TSHR (0.74) TSHRCCR3MAPTSMN1; SMN2HTT
SCHEMBL10107366 0.74 AVPR1A (0.55) TSHRCCR3MAPTSMN1; SMN2HTT
SCHEMBL5596259 0.73 LMNA (0.50) TSHRMAPTSMN1; SMN2HTTNPC1
SCHEMBL5597095 0.72 KDM4E (0.41) MAPTHTTLMNAALDH1A1KDM4E
SCHEMBL7241082 0.72 SLC6A2 (0.71) TSHRCCR3MAPTSMN1; SMN2HTT
SCHEMBL3513447 0.71 KDM4E (0.36) TSHRMAPTSMN1; SMN2HTTL3MBTL1

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed