SCHEMBL9528908

SCHEMBL9528908

CCCCC(CNc1nc(C)c(OC(=O)N(C)C)c(C)n1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 4/20 0.41
▸ POLB P06746 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KLK7 P49862 1/20 0.33

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
SCHEMBL9529753 0.94 CHRNB2 (0.39) NCEH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9528133 0.92 NCEH1 (0.37) NCEH1POLBCHRNB2CHRNB4CHRNA3
SCHEMBL9528551 0.88 POLB (0.38) POLBALDH1A1KLK7
SCHEMBL9527618 0.87 PKM (0.38) POLBALDH1A1PKMKMT2AKLK7
SCHEMBL9528238 0.87 POLB (0.37) POLBALDH1A1KMT2AKLK7
SCHEMBL9528360 0.86 RAB9A (0.36) POLBALDH1A1KMT2AKLK7
SCHEMBL9528478 0.85 ASAH1 (0.39) POLBALDH1A1KMT2A
SCHEMBL9527604 0.85 FAAH (0.36) POLBALDH1A1KMT2AKLK7
SCHEMBL9529074 0.84 NCEH1 (0.43) NCEH1POLBCHRNB2CHRNB4CHRNA3
SCHEMBL9528699 0.84 HTT (0.39) POLBALDH1A1KMT2A

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 7 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
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
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
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