SCHEMBL9527634

SCHEMBL9527634

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 3/20 0.39
▸ TACR3 P29371 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL9527595 0.92 NCEH1 (0.42) NCEH1TACR3POLBCHRNB2CHRNB4
SCHEMBL10370877 0.89 TACR3 (0.39) TACR3POLB
SCHEMBL9529074 0.89 NCEH1 (0.43) NCEH1TACR3POLBCHRNB2CHRNB4
SCHEMBL9528133 0.83 NCEH1 (0.37) NCEH1POLBCHRNB2CHRNB4CHRNA3
SCHEMBL9528534 0.80 TACR3 (0.42) TACR3POLBCACNA2D1
SCHEMBL9528223 0.79 TACR3 (0.41) TACR3POLBCACNA2D1
SCHEMBL10369837 0.79 GCGR (0.39) TACR3POLBCACNA2D1
SCHEMBL9527611 0.79 TACR3 (0.41) TACR3CACNA2D1
SCHEMBL9528466 0.79 TACR3 (0.41) TACR3
SCHEMBL9528353 0.79 TACR3 (0.41) TACR3CACNA2D1

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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