SCHEMBL300463

SCHEMBL300463

O=C(N[C@H](CO)c1ccccc1)Oc1n[nH]c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.78
MAPK1 P28482 6/20 0.40
AURKA O14965 3/20 0.36
CDK2 P24941 3/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK3 P27361 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
SCHEMBL300356 1.00 CNR2 (0.78) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL300479 1.00 CNR2 (0.78) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL300487 1.00 CNR2 (0.78) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL300497 1.00 CNR2 (0.78) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL300533 1.00 CNR2 (0.78) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL300535 0.90 CNR2 (0.65) CNR2
SCHEMBL300486 0.90 CNR2 (0.65) CNR2
SCHEMBL13745625 0.88 CNR2 (1.00) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL176719 0.88 CNR2 (1.00) CNR2MAPK1AURKACDK2KCNQ3
SCHEMBL176651 0.88 CNR2 (1.00) CNR2MAPK1AURKACDK2KCNQ3

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