SCHEMBL9528447

SCHEMBL9528447

CCCCC(Nc1nc(C)c(OC(=O)OCC(C)C)c(C)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.38
▸ POLB P06746 1/20 0.38
▸ GPR88 Q9GZN0 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.34

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
SCHEMBL9529632 0.97 TACR3 (0.39) TACR3POLBGPR88
SCHEMBL9528353 0.88 TACR3 (0.41) TACR3CACNA2D1
SCHEMBL9530343 0.85 POLB (0.36) POLBKLK7CTSK
SCHEMBL9527591 0.83 FAAH (0.42) TACR3GPR88
SCHEMBL9527790 0.83 TACR3 (0.41) TACR3POLBGPR88ALDH1A1CACNA2D1
SCHEMBL9529074 0.82 NCEH1 (0.43) TACR3POLBGPR88ALDH1A1CACNA2D1
SCHEMBL9527699 0.82 TACR3 (0.40) TACR3POLBGPR88CTSKCACNA2D1
SCHEMBL9528534 0.81 TACR3 (0.42) TACR3POLBGPR88CACNA2D1
SCHEMBL9528223 0.81 TACR3 (0.41) TACR3POLBGPR88CACNA2D1
SCHEMBL9530047 0.80 MAPT (0.34) GPR88ALDH1A1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US claimed
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO disclosed
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