SCHEMBL27451622

SCHEMBL27451622

C1=C(C2CCCCCC2)NCC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.38
DAO P14920 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL918438 1.00 NISCH (0.38) NISCHDAOCYP11B2
SCHEMBL27467506 0.98 NISCH (0.34) NISCH
SCHEMBL22510032 0.87 CCR2 (0.39) NISCH
SCHEMBL16246596 0.84 CCR2 (0.36) NISCH
SCHEMBL6105380 0.82
SCHEMBL22755811 0.82 SLC18A3 (0.40)
SCHEMBL419917 0.82 CCR2 (0.31)
SCHEMBL37603 0.82
SCHEMBL30915787 0.76
SCHEMBL30196745 0.76

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
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed