SCHEMBL300360

SCHEMBL300360

C[C@H](NC(=O)Oc1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
PDE9A O76083 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.35
FKBP1A P62942 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL300469 0.92 CYP3A4 (0.40) CNR2MAPK1FKBP1ABCHEACHE
SCHEMBL300678 0.91 CNR2 (0.48) CNR2MAPK1FKBP1A
SCHEMBL176638 0.87 CNR2 (0.48) CNR2MEN1KMT2AMAPK1PDE9A
SCHEMBL176620 0.87 CNR2 (0.48) CNR2MEN1KMT2AMAPK1PDE9A
SCHEMBL300734 0.87 ALDH1A1 (0.38) CNR2THRB
SCHEMBL300521 0.82 CNR2 (0.43) CNR2
SCHEMBL300704 0.79 MMP1 (0.40) CNR2
SCHEMBL300470 0.79 MMP1 (0.40) CNR2
SCHEMBL300549 0.79 THRB (0.41) MEN1KMT2APOLBTHRB
SCHEMBL176782 0.79 MAPK1 (0.45) CNR2MAPK1FKBP1A

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed