SCHEMBL4392539

SCHEMBL4392539

CCCC1NCC(C)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 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
SCHEMBL4392538 1.00 GHSR (0.32) GHSRSMN1; SMN2HDAC8KDM4EMEN1
SCHEMBL4392545 1.00 GHSR (0.32) GHSRSMN1; SMN2HDAC8KDM4EMEN1
SCHEMBL16399382 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4610136 0.76
SCHEMBL4392635 0.76
SCHEMBL4392636 0.76
SCHEMBL25449261 0.74 ALDH1A1 (0.40) GHSRSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13545642 0.74 ALDH1A1 (0.40) GHSRSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL16401433 0.73 HSD17B10 (0.37) ALDH1A1
SCHEMBL11902434 0.72 GHSR (0.39) GHSRSMN1; SMN2MEN1KMT2A

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
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed