SCHEMBL300678

SCHEMBL300678

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
MAPK1 P28482 2/20 0.38
PTGER4 P35408 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
CCR3 P51677 1/20 0.34
GAA P10253 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
FKBP1A P62942 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
SCHEMBL300360 0.91 CNR2 (0.46) CNR2MAPK1FKBP1A
SCHEMBL300469 0.88 CYP3A4 (0.40) CNR2MAPK1FKBP1A
SCHEMBL176767 0.87 CNR2 (0.54) CNR2MAPK1PTGER4TRPV4
SCHEMBL176441 0.87 CNR2 (0.54) CNR2MAPK1PTGER4TRPV4
SCHEMBL300688 0.81 CNR2 (0.39) CNR2
SCHEMBL176606 0.79 MAPK1 (0.45) CNR2MAPK1PTGER4TRPV4PDE1B
SCHEMBL176628 0.79 MAPK1 (0.45) CNR2MAPK1PTGER4TRPV4PDE1B
SCHEMBL300504 0.78 CNR2 (0.42) CNR2
SCHEMBL3466374 0.78 CNR2 (0.46) CNR2
SCHEMBL300521 0.78 CNR2 (0.43) CNR2

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