SCHEMBL4737833

SCHEMBL4737833

CCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(CCc3cc(F)ccc31)O2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
NR3C1 P04150 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL14068758 0.86
SCHEMBL4735036 0.84 CNR1 (0.36)
SCHEMBL4737057 0.81 OPRL1 (0.36)
SCHEMBL4737019 0.81 BACE1 (0.31)
SCHEMBL4734073 0.80 CHIA (0.33) BRD4NR3C1
SCHEMBL4736369 0.80 PIN1 (0.30)
SCHEMBL4738895 0.80 KMT2A (0.36)
SCHEMBL4739803 0.77
SCHEMBL4740444 0.76 HCAR2 (0.34)
SCHEMBL4737642 0.76 NPY5R (0.37)

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