SCHEMBL5658521

SCHEMBL5658521

O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)OC1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.77
CXCR1 P25024 14/20 0.77
HTR2B P41595 1/20 0.46
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL5658866 1.00 CXCR2 (0.77) CXCR2CXCR1HTR2BP4HTM
SCHEMBL5660642 0.99 CXCR2 (0.75) CXCR2CXCR1HTR2BP4HTM
SCHEMBL5659934 0.88 CXCR2 (0.61) CXCR2CXCR1HTR2B
SCHEMBL5847000 0.87 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL5847514 0.86 CXCR1 (0.98) CXCR2CXCR1P4HTM
SCHEMBL5658178 0.83 CXCR2 (0.57) CXCR2CXCR1P4HTM
SCHEMBL5659864 0.82 CXCR2 (0.54) CXCR2CXCR1P4HTM
SCHEMBL5658349 0.82 CXCR2 (0.73) CXCR2CXCR1P4HTM
SCHEMBL5661096 0.80 CXCR2 (0.67) CXCR2CXCR1P4HTM
SCHEMBL5656328 0.80 P4HTM (0.57) CXCR2CXCR1P4HTM

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-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US claimed
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed