SCHEMBL2942437

SCHEMBL2942437

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 3/20 0.44
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2942438 1.00 LMNA (0.46) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL1802232 0.85 LMNA (0.44) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL2942520 0.85 CYP3A4 (0.58) LMNAALDH1A1GAACYP3A4CYP2C19
SCHEMBL5669833 0.83 LMNA (0.47) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL1800991 0.81 LMNA (0.55) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2938720 0.81 LMNA (0.55) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL5669107 0.76 CYP3A4 (0.35) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL2939660 0.75 CCR2 (0.46) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL1801116 0.75 CCR2 (0.46) LMNAALDH1A1MEN1KMT2ACCR2
SCHEMBL2943403 0.75 CYP2C19 (0.44) MEN1KMT2AGAACYP3A4CYP2C19

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