SCHEMBL5659934

SCHEMBL5659934

O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)OCCOC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.61
CXCR1 P25024 14/20 0.61
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR2B P41595 1/20 0.41

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
SCHEMBL5846295 0.89 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL5658866 0.88 CXCR2 (0.77) CXCR2CXCR1HTR2B
SCHEMBL5658521 0.88 CXCR2 (0.77) CXCR2CXCR1HTR2B
SCHEMBL5660642 0.87 CXCR2 (0.75) CXCR2CXCR1HTR2B
SCHEMBL5658178 0.82 CXCR2 (0.57) CXCR2CXCR1
SCHEMBL5659864 0.81 CXCR2 (0.54) CXCR2CXCR1
SCHEMBL5658493 0.80 CXCR2 (0.62) CXCR2CXCR1
SCHEMBL5656391 0.79 CXCR1 (0.75) CXCR2CXCR1
SCHEMBL5660344 0.79 CXCR1 (0.57) CXCR2CXCR1
SCHEMBL5657505 0.78 CXCR1 (0.49) CXCR2CXCR1

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 1 patent. 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 disclosed