SCHEMBL9528534

SCHEMBL9528534

CCCCCC(Nc1nc(C)c(OC(C)=O)c(C)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.42
▸ FAAH O00519 2/20 0.39
▸ CACNA2D1 P54289 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GPR88 Q9GZN0 1/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL10370877 0.92 TACR3 (0.39) TACR3FAAHGPR88POLB
SCHEMBL9528223 0.90 TACR3 (0.41) TACR3FAAHCACNA2D1SMN1; SMN2GPR88
SCHEMBL9527611 0.89 TACR3 (0.41) TACR3CACNA2D1SMN1; SMN2NPC1LMNA
SCHEMBL9528466 0.89 TACR3 (0.41) TACR3SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL9528353 0.89 TACR3 (0.41) TACR3CACNA2D1SMN1; SMN2NPC1LMNA
SCHEMBL9527591 0.88 FAAH (0.42) TACR3FAAHGPR88CNR2
SCHEMBL9527595 0.88 NCEH1 (0.42) TACR3FAAHCACNA2D1GPR88POLB
SCHEMBL9528680 0.86 TACR3 (0.41) TACR3CACNA2D1NPC1LMNARAB9A
SCHEMBL9527790 0.85 TACR3 (0.41) TACR3FAAHCACNA2D1GPR88POLB
SCHEMBL9529632 0.85 TACR3 (0.39) TACR3SMN1; SMN2GPR88POLBNPC1

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 8 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-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP claimed
JP-1250364-A — — None — — JP disclosed
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
JP-H01250364-A ACYL DERIVATIVE OF HYDROXYPYRIMIDINES AND COMPOSITION THEREOF PFIZER INC 1989-10-05 — — JP disclosed
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
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