SCHEMBL8601363

SCHEMBL8601363

CSN1CCCC1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
GAA P10253 2/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSC P53634 2/20 0.36
CTSH P09668 1/20 0.36
CTSF Q9UBX1 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL11170273 0.74 CHRNB4 (0.46) CHRNB4CHRNA3SLC6A2SLC6A3CHRNB2
SCHEMBL7246918 0.73 CARM1 (0.40) CHRNB4CHRNA3SLC6A2SLC6A3CHRNB2
SCHEMBL11508468 0.72 FFAR1 (0.44) CHRNB4CHRNA3SLC6A2SLC6A3CHRNB2
SCHEMBL9219063 0.70 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL5010541 0.70 ALDH1A1 (0.51) CHRNA7SMN1; SMN2GAAALDH1A1
SCHEMBL3072909 0.70 CTSV (0.39) CHRNB4CHRNA3SLC6A2SLC6A3SMN1; SMN2
SCHEMBL25071302 0.69 SMN1; SMN2 (0.53) SLC6A2SLC6A3SMN1; SMN2CARM1PRMT6
SCHEMBL4322788 0.69 MEN1 (0.39) SLC6A2SLC6A3SMN1; SMN2CARM1PRMT6
SCHEMBL1751084 0.69 HRH3 (0.40) CHRNB4CHRNA3SMN1; SMN2ALDH1A1
SCHEMBL24804361 0.69 SLC6A2 (0.56) CHRNB4CHRNA3SLC6A2SLC6A3CHRNB2

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-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed