SCHEMBL5845104

SCHEMBL5845104

O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCC1CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 16/20 0.73
CXCR2 P25025 16/20 0.73
P4HTM Q9NXG6 1/20 0.48
GABRA5 P31644 1/20 0.46

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
SCHEMBL5846560 0.96 CXCR1 (0.73) CXCR1CXCR2
SCHEMBL5659864 0.87 CXCR2 (0.54) CXCR1CXCR2P4HTM
SCHEMBL5846287 0.84 CXCR1 (1.00) CXCR1CXCR2P4HTMGABRA5
SCHEMBL5847514 0.84 CXCR1 (0.98) CXCR1CXCR2P4HTM
SCHEMBL5846277 0.83 CXCR1 (1.00) CXCR1CXCR2P4HTMGABRA5
SCHEMBL5658178 0.83 CXCR2 (0.57) CXCR1CXCR2P4HTM
SCHEMBL5847000 0.83 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5847588 0.83 CXCR1 (0.83) CXCR1CXCR2GABRA5
SCHEMBL5845325 0.83 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL5846295 0.82 CXCR2 (0.79) 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 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