SCHEMBL5847596

SCHEMBL5847596

CC(C)CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 16/20 1.00
CXCR2 P25025 16/20 1.00
GABRA5 P31644 1/20 0.48
P4HTM Q9NXG6 1/20 0.47

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 0.88 CXCR1 (0.83) CXCR1CXCR2GABRA5
SCHEMBL5845966 0.86 CXCR1 (0.80) CXCR1CXCR2
SCHEMBL5846287 0.86 CXCR1 (1.00) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5847552 0.86 CXCR1 (0.80) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5846277 0.84 CXCR1 (1.00) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5845430 0.82 CXCR2 (0.81) CXCR1CXCR2GABRA5
SCHEMBL5846575 0.81 CXCR1 (0.76) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5846063 0.81 CXCR1 (0.79) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5845104 0.80 CXCR1 (0.73) CXCR1CXCR2GABRA5P4HTM
SCHEMBL5845407 0.80 CXCR2 (1.00) CXCR1CXCR2GABRA5P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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