SCHEMBL9906706

SCHEMBL9906706

Cc1ccc(CNCC2CCC(CN(C)CCO)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR1 P21453 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
LTA4H P09960 1/20 0.36
CHRM2 P08172 1/20 0.36
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL13540714 0.88 KMT2A (0.51) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL22917361 0.82 CXCR4 (0.56) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL9906689 0.82 MEN1 (0.36) CXCR4MEN1KMT2ARAB9ANPC1
SCHEMBL9906716 0.81 POLB (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL9906707 0.79 CXCR4 (0.51) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL20625943 0.75 CXCR4 (0.53) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL18088394 0.75 RAB9A (0.60) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL15706401 0.73
SCHEMBL9906705 0.73 CXCR4 (0.44) CXCR4MEN1KMT2ARAB9AHDAC6
SCHEMBL16327151 0.71 PYCR1 (0.50)

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-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed