SCHEMBL5660902

SCHEMBL5660902

CN(C)c1cccc(OC(=O)COc2ncc(C(=O)Nc3ccc(F)cc3)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 14/20 0.56
CXCR2 P25025 14/20 0.56
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.44
F2 P00734 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43

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
SCHEMBL5656795 0.85 CXCR2 (0.76) CXCR1CXCR2NPC1RAB9ASMN1; SMN2
SCHEMBL5661096 0.83 CXCR2 (0.67) CXCR1CXCR2NPC1F2RAB9A
SCHEMBL5657684 0.81 CXCR1 (0.61) CXCR1CXCR2NPC1RAB9A
SCHEMBL5658349 0.79 CXCR2 (0.73) CXCR1CXCR2NPC1RAB9A
SCHEMBL5658045 0.77 CXCR2 (0.59) CXCR1CXCR2NPC1RAB9A
SCHEMBL5658556 0.77 NPC1 (0.52) CXCR1CXCR2NPC1F2RAB9A
SCHEMBL5659069 0.76 CXCR2 (0.59) CXCR1CXCR2NPC1RAB9A
SCHEMBL5656391 0.76 CXCR1 (0.75) CXCR1CXCR2
SCHEMBL5658884 0.75 KMT2A (0.57) CXCR1CXCR2NPC1RAB9ASMN1; SMN2
SCHEMBL5659634 0.75 CXCR1 (0.58) CXCR1CXCR2NPC1RAB9ACTNNB1

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