SCHEMBL6058664

SCHEMBL6058664

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
TERT O14746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3990594 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1PKMMAPTKDM4E
SCHEMBL12764466 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1PKMMAPTKDM4E
SCHEMBL1088524 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL26090256 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL6219928 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL1189317 0.80 ALDH1A1 (0.56) SMN1; SMN2USP2ALDH1A1MAPTKDM4E
SCHEMBL10246530 0.79 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL22615133 0.79 MAPT (0.51) SMN1; SMN2USP2ALDH1A1PKMMAPT
SCHEMBL1456654 0.78 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL22284409 0.78 GPR119 (0.44) ALDH1A1PKMKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed