SCHEMBL5510122

SCHEMBL5510122

COCCCN1CCOc2ccc(CO[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](C[C@@](C)(O)CCOC)CC3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
FKBP1A P62942 1/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
HSD11B1 P28845 1/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKLR P30613 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2921320 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2921316 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL4583769 0.95 LMNA (0.34) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL4583766 0.95 LMNA (0.34) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2921489 0.95 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2914012 0.95 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2924793 0.95 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2925030 0.95 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2924153 0.93 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19
SCHEMBL2922801 0.93 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C9MAPTCYP3A4CYP2C19

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
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed