SCHEMBL300374

SCHEMBL300374

O=C(N[C@H](CCl)c1ccccc1)Oc1nn(-c2ccc(F)cc2F)c2c1CCCCC2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.47
▸ CNR1 P21554 2/20 0.35

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
SCHEMBL176661 0.89 CNR2 (0.58) CNR2CNR1
SCHEMBL176530 0.84 CNR2 (0.56) CNR2CNR1
SCHEMBL300521 0.78 CNR2 (0.43) CNR2
SCHEMBL10080083 0.78 CNR2 (0.58) CNR2CNR1
SCHEMBL257725 0.78 CNR2 (0.43) CNR2CNR1
SCHEMBL176569 0.77 CNR2 (0.65) CNR2CNR1
SCHEMBL3469566 0.76 CNR2 (0.43) CNR2CNR1
SCHEMBL300476 0.75 CNR2 (0.55) CNR2CNR1
SCHEMBL300469 0.74 CYP3A4 (0.40) CNR2
SCHEMBL176977 0.74 CNR2 (0.53) CNR2CNR1

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
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