SCHEMBL2943556

SCHEMBL2943556

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)CCC1CCCC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
USP19 O94966 3/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KMT2A Q03164 1/20 0.39
CCR5 P51681 2/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL1801308 0.87 CCR5 (0.49) LMNASMN1; SMN2MAPK1USP19ALDH1A1
SCHEMBL2934783 0.85 CCR5 (0.40) LMNASMN1; SMN2ALDH1A1KMT2ACCR5
SCHEMBL2941205 0.82 MEN1 (0.44) LMNASMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL2938912 0.82 CYP3A4 (0.42) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL2932813 0.82 MEN1 (0.43) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4041825 0.82 NPSR1 (0.43) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL1798595 0.82 LMNA (0.46) LMNASMN1; SMN2MAPK1USP19ALDH1A1
SCHEMBL2940845 0.81 GRM5 (0.47) LMNASMN1; SMN2ALDH1A1
SCHEMBL1799397 0.80 LMNA (0.46) LMNASMN1; SMN2MAPK1USP19ALDH1A1
SCHEMBL5667080 0.80 LMNA (0.49) LMNASMN1; SMN2MAPK1USP19ALDH1A1

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-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed