SCHEMBL11242964

SCHEMBL11242964

CCCCCC(C)(C)N1C(C)(C)CNC(=O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
CCR2 P41597 3/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL9936196 0.82
SCHEMBL11092731 0.72 HSD17B10 (0.33) HSD17B10
SCHEMBL11165200 0.71 ALOX5 (0.36) HSD17B10
SCHEMBL9578365 0.71 HSD17B10 (0.33) HSD17B10
SCHEMBL11562669 0.70
SCHEMBL9578310 0.68 HSD17B10 (0.33) HSD17B10
SCHEMBL21324856 0.64 PTGS1 (0.35) CCR2CCR1CCR5CXCR4
SCHEMBL4592134 0.63 HSD17B10 (0.31) HSD17B10
SCHEMBL20616631 0.62 MGLL (0.38)
SCHEMBL26289862 0.62 ALOX5 (0.39) HSD17B10

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
EP-0001559-B1 SYNTHESIS OF 2-KETO-1,4-DIAZACYCLOALKANES The B.F. GOODRICH Company (US) 1982-01-13 EP disclosed