SCHEMBL8772549

SCHEMBL8772549

NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
CYP2C19 P33261 2/20 0.62
GAA P10253 1/20 0.55
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CHRM1 P11229 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL29400785 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19RAB9ANPC1KMT2A
SCHEMBL29677774 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19RAB9ANPC1KMT2A
SCHEMBL119502 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19RAB9ANPC1KMT2A
SCHEMBL8361479 0.87 L3MBTL1 (0.48) SMN1; SMN2CYP2C19GAARAB9ANPC1
SCHEMBL874549 0.87 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19GAARAB9ANPC1
SCHEMBL27841040 0.86 KMT2A (0.48) SMN1; SMN2CYP2C19GAARAB9ANPC1
SCHEMBL13327274 0.86 POLB (0.52) SMN1; SMN2GAAKMT2AL3MBTL1ALDH1A1
SCHEMBL22397770 0.86 POLB (0.52) SMN1; SMN2GAAKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2298842 0.85 KMT2A (0.47) SMN1; SMN2CYP2C19GAARAB9ANPC1
SCHEMBL693889 0.85 L3MBTL1 (0.48) SMN1; SMN2CYP2C19GAARAB9ANPC1

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
EP-0801083-A2 Improved functionalized resin for chemical synthesis PFIZER INC. (US) 1997-10-15 EP disclosed