SCHEMBL5845966

SCHEMBL5845966

CCCCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 16/20 0.80
CXCR2 P25025 16/20 0.80
FAAH O00519 1/20 0.52

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
SCHEMBL5847588 0.94 CXCR1 (0.83) CXCR1CXCR2
SCHEMBL5846287 0.89 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5847596 0.86 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5846277 0.85 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5845430 0.83 CXCR2 (0.81) CXCR1CXCR2
SCHEMBL5845325 0.83 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5847552 0.82 CXCR1 (0.80) CXCR1CXCR2
SCHEMBL5846575 0.82 CXCR1 (0.76) CXCR1CXCR2
SCHEMBL5846063 0.81 CXCR1 (0.79) CXCR1CXCR2
SCHEMBL5845104 0.81 CXCR1 (0.73) CXCR1CXCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US claimed
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed