SCHEMBL8104944

SCHEMBL8104944

COc1cc(CCCN2CCCC2)ccc1P

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
EBP Q15125 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
EBPL Q9BY08 1/20 0.52
ABCB1 P08183 1/20 0.51
DRD2 P14416 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7923062 0.87 SIGMAR1 (0.72) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL22813564 0.86 SIGMAR1 (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL12856192 0.83 SIGMAR1 (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL311664 0.82 SIGMAR1 (0.55) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL8116673 0.81 SIGMAR1 (0.58) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL19043468 0.80 SIGMAR1 (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL19043727 0.80 SIGMAR1 (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL7922224 0.80 SIGMAR1 (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL19043653 0.79 SIGMAR1 (0.55) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2451796 0.78 SIGMAR1 (0.61) SIGMAR1EBPTMEM97EBPLABCB1

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
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed