SCHEMBL5015635

SCHEMBL5015635

CCCC(NC(=O)O)c1ccc(OCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
GPR88 Q9GZN0 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SLC2A1 P11166 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
SCHEMBL910550 0.84 FAAH (0.47) FAAHGPR88SMN1; SMN2MAPK1
SCHEMBL4435918 0.80 ALOX5 (0.53) ALDH1A1
SCHEMBL1444160 0.79 GPR88 (0.70) FAAHGPR88SMN1; SMN2MAPK1
SCHEMBL574487 0.76 TACR3 (0.51) GPR88ALDH1A1
SCHEMBL2520989 0.74 GPR88 (0.75) GPR88
SCHEMBL1553718 0.74 GPR88 (0.75) GPR88
SCHEMBL13560366 0.73 GPR88 (0.60) GPR88
SCHEMBL8463046 0.72 AKR1C3 (0.51) GPR88MAPK1
SCHEMBL15902279 0.70 TP53 (0.59) GPR88SMN1; SMN2MAPK1
SCHEMBL10323207 0.70 HRH1 (0.50) SMN1; SMN2MAPK1ALDH1A1

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-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed