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SCHEMBL5213237

SCHEMBL5213237

Cc1cnc(OC(C)(C)C)c(N2CCC(c3nc(-c4ccccc4F)no3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.55
▸ CNR1 P21554 9/20 0.42
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL27618076 0.87 CNR2 (0.46) CNR2CNR1
SCHEMBL27599495 0.85 LMNA (0.48) CNR2CNR1
SCHEMBL27599488 0.84 GRM5 (0.52) CNR2
SCHEMBL1475792 0.78 CNR2 (0.48) CNR2HCRTR1HCRTR2
SCHEMBL27599518 0.73 MAOA (0.44) CNR2
SCHEMBL27618123 0.72 HTR2C (0.37) —
SCHEMBL27599636 0.72 GPR6 (0.36) —
SCHEMBL27599461 0.72 DCK (0.34) —
SCHEMBL27599425 0.72 RBP4 (0.43) —
SCHEMBL28751996 0.72 RBP4 (0.38) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 — — CN disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 — — CN disclosed