SCHEMBL9302549

SCHEMBL9302549

CNC(C1CCNCC1)C1COc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.37
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9302484 0.78 NISCH (0.39) KMT2AMEN1TP53CYP1A2CYP2D6
SCHEMBL10857472 0.77 LMNA (0.42) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9301405 0.75 ACHE (0.46) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9301653 0.74 ACHE (0.47) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9303117 0.74 LTA4H (0.48) MAPT
SCHEMBL9302321 0.74 ATM (0.42) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL9301293 0.73 LMNA (0.46) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9302654 0.72 EPHX2 (0.45) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9301121 0.72 ACHE (0.45) MAPT
SCHEMBL10852007 0.72 LMNA (0.40) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed