SCHEMBL3480446

SCHEMBL3480446

CCOC(=O)C(=C(CC)CC)N1CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ POLB P06746 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5569327 0.79 FAAH (0.51) FAAHNAAANPC1RAB9ATSHR
SCHEMBL11372041 0.71 FAAH (0.64) FAAHNAAANPC1RAB9ATSHR
SCHEMBL3862615 0.70 TSHR (0.42) FAAHNAAANPC1RAB9ATSHR
SCHEMBL10750032 0.68 FAAH (0.51) FAAHNAAANPC1RAB9ATSHR
SCHEMBL28176966 0.68 FAAH (0.48) FAAHNAAANPC1RAB9ATSHR
SCHEMBL2820218 0.67 TSHR (0.39) FAAHNAAARAB9ATSHRPOLB
SCHEMBL11370007 0.66 NAAA (0.77) FAAHNAAANPC1RAB9ATSHR
SCHEMBL14618053 0.65 FAAH (0.51) FAAHNAAANPC1RAB9ATSHR
SCHEMBL16424936 0.65 TSHR (0.49) RAB9ATSHRPOLBALDH1A1MAPT
SCHEMBL9168611 0.65 TSHR (0.42) FAAHNAAANPC1RAB9ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147042-A1 DENDRITIC MOLECULES The University Of Queensland (AU) 2010-01-27 — — EP disclosed
WO-2008141357-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2008-11-27 — — WO disclosed
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