SCHEMBL3733737

SCHEMBL3733737

O=C(O)N1CCNC(CC2=COCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
PARP1 P09874 1/20 0.33
ADRB1 P08588 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL5334736 0.82 MAPK1 (0.39)
SCHEMBL5337404 0.76 FAAH (0.44)
SCHEMBL3495230 0.73 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL4749948 0.73 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL5719329 0.73 CA1 (0.62) CA1CA2CA4CA9PARP1
SCHEMBL3492392 0.71 CA1 (0.51) CA1CA2CA4CA9PARP1
SCHEMBL15005734 0.70 REN (0.42) CA1CA2CA4CA9PARP1
SCHEMBL2011996 0.70 REN (0.42) CA1CA2CA4CA9PARP1
SCHEMBL2418102 0.70 REN (0.42) CA1CA2CA4CA9PARP1
SCHEMBL4750177 0.69 EPHX2 (0.43) CA1CA2CA4CA9

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-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP disclosed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO disclosed