SCHEMBL31035962

SCHEMBL31035962

CCC(=O)NCCCCCCN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
DRD2 P14416 3/20 0.54
DRD3 P35462 2/20 0.54
PAOX Q6QHF9 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
DRD4 P21917 1/20 0.42

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
SCHEMBL5570062 0.93 TP53 (0.60) KMT2AMEN1DRD2DRD3PAOX
SCHEMBL15985650 0.86 HDAC2 (0.51) KMT2AMEN1DRD2DRD3PAOX
SCHEMBL31036048 0.84 MEN1 (0.53) KMT2AMEN1DRD2DRD3TP53
SCHEMBL24412969 0.83 TP53 (0.51) PAOXTP53SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL24530659 0.83 TP53 (0.56) KMT2AMEN1DRD2DRD3TP53
SCHEMBL6196093 0.81 SMN1; SMN2 (0.57) KMT2AMEN1DRD2DRD3TP53
SCHEMBL3477552 0.81 CASP2 (0.59) PAOXTP53SMN1; SMN2USP2ALDH1A1
SCHEMBL8437935 0.80 FAAH (0.55) KMT2APAOXTP53SMN1; SMN2USP2
SCHEMBL23173790 0.79 PAOX (0.51) KMT2ADRD2DRD3PAOXTP53
SCHEMBL5230823 0.79 SMN1; SMN2 (0.56) KMT2AMEN1TP53SMN1; SMN2ALDH1A1

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-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed