SCHEMBL9527591

SCHEMBL9527591

CCCCCC(Nc1nc(C)c(OC(=O)Oc2ccccc2)c(C)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.42
▸ TACR3 P29371 5/20 0.40
▸ GPR88 Q9GZN0 3/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL9528353 0.90 TACR3 (0.41) TACR3
SCHEMBL9528534 0.88 TACR3 (0.42) FAAHTACR3GPR88CNR2
SCHEMBL9528223 0.87 TACR3 (0.41) FAAHTACR3GPR88CNR2
SCHEMBL9529632 0.86 TACR3 (0.39) TACR3GPR88
SCHEMBL9527611 0.86 TACR3 (0.41) TACR3
SCHEMBL9528466 0.86 TACR3 (0.41) TACR3
SCHEMBL9527595 0.85 NCEH1 (0.42) FAAHTACR3GPR88
SCHEMBL9528447 0.83 TACR3 (0.38) TACR3GPR88
SCHEMBL9528680 0.83 TACR3 (0.41) TACR3
SCHEMBL9527790 0.82 TACR3 (0.41) FAAHTACR3GPR88

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
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
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