SCHEMBL9527595

SCHEMBL9527595

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 4/20 0.42
▸ TACR3 P29371 4/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ FAAH O00519 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL9529074 0.97 NCEH1 (0.43) NCEH1TACR3CHRNB2CHRNB4CHRNA3
SCHEMBL9527634 0.92 NCEH1 (0.39) NCEH1TACR3CHRNB2CHRNB4CHRNA3
SCHEMBL9528534 0.88 TACR3 (0.42) TACR3CACNA2D1POLBFAAHGPR88
SCHEMBL9528223 0.87 TACR3 (0.41) TACR3CACNA2D1POLBFAAHGPR88
SCHEMBL9528353 0.86 TACR3 (0.41) TACR3CACNA2D1
SCHEMBL9527611 0.86 TACR3 (0.41) TACR3CACNA2D1
SCHEMBL9528466 0.86 TACR3 (0.41) TACR3
SCHEMBL9527591 0.85 FAAH (0.42) TACR3FAAHGPR88
SCHEMBL9528680 0.83 TACR3 (0.41) TACR3CACNA2D1
SCHEMBL9527790 0.82 TACR3 (0.41) TACR3CACNA2D1POLBFAAHGPR88

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-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP claimed
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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