SCHEMBL4737019

SCHEMBL4737019

COC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CCC2(CCc4cc(F)ccc42)O3)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.31
RORC P51449 2/20 0.31
HCRTR1 O43613 10/20 0.31
HCRTR2 O43614 10/20 0.31
GRIN2B Q13224 1/20 0.31
SPR P35270 1/20 0.30

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
SCHEMBL4735036 0.88 CNR1 (0.36) GRIN2B
SCHEMBL14068758 0.83
SCHEMBL4739255 0.81 CHRM2 (0.35) RORCHCRTR1HCRTR2SPR
SCHEMBL4737833 0.81 BRD4 (0.31)
SCHEMBL4736369 0.77 PIN1 (0.30)
SCHEMBL4738064 0.77 AVPR1A (0.34) SPR
SCHEMBL4783797 0.76 RORC (0.38) RORC
SCHEMBL4737352 0.75 LMNA (0.33)
SCHEMBL4739803 0.75
SCHEMBL4740444 0.74 HCAR2 (0.34)

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
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed