SCHEMBL31693671

SCHEMBL31693671

CCOC(=O)C1(C2CCCCC2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIGMAR1 Q99720 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 3/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
P4HB P07237 1/20 0.49

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
SCHEMBL31693682 0.99 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL2981734 0.89 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL6747389 0.89 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL31693665 0.84 TSHR (0.53) CYP3A4CYP2D6KMT2AMEN1ALDH1A1
SCHEMBL31693656 0.82 TSHR (0.51) CYP3A4CYP2D6LMNAKMT2AMEN1
SCHEMBL17463418 0.82 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL17538385 0.82 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9LMNAKMT2A
SCHEMBL21480263 0.82 KDM4E (0.48) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL21480267 0.82 KDM4E (0.48) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL2817086 0.80 CYP2D6 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19LMNA

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-2025201533-A1 NOVEL ACIDIC COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (SHANGHAI) LIMITED., CO. (CN) 2025-10-02 WO disclosed