SCHEMBL357891

SCHEMBL357891

CN1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.67
EPHX1 P07099 1/20 0.65
USP30 Q70CQ3 3/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CXCR3 P49682 1/20 0.55
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSC P53634 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
CHRM4 P08173 1/20 0.49

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
SCHEMBL1911203 1.00 EPHX2 (0.67) EPHX2EPHX1USP30CA12CA1
SCHEMBL356730 0.88 CTSL (0.65) EPHX2EPHX1USP30CTSLCTSB
SCHEMBL1911333 0.85 RAB9A (0.56) EPHX2USP30CA12CA1CA2
SCHEMBL1911204 0.83 RECQL (0.54) EPHX2USP30CA12CA1CA2
SCHEMBL14392368 0.83 RECQL (0.54) EPHX2USP30CA12CA1CA2
SCHEMBL4123175 0.83 EPHX2 (0.77) EPHX2EPHX1USP30CA12CA1
SCHEMBL1912234 0.82 EPHX2 (0.71) EPHX2EPHX1
SCHEMBL4010106 0.82 EPHX2 (0.69) EPHX2EPHX1USP30CA12CA1
SCHEMBL1911231 0.82 EPHX2 (0.62) EPHX2EPHX1USP30CTSLCTSB
SCHEMBL24381758 0.81 MEN1 (0.67) EPHX2EPHX1USP30CTSLCTSB

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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed