SCHEMBL2938720

SCHEMBL2938720

O=C(/C=C/c1ccccc1)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
GPR183 P32249 5/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL1800991 1.00 LMNA (0.55) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL3926088 0.86 CXCR3 (0.41) GAAPOLB
SCHEMBL1797763 0.84 CYP2D6 (0.51) GAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1800654 0.83 CYP2D6 (0.50) GAAMEN1KMT2AALDH1A1
SCHEMBL3918198 0.83 GAA (0.41) LMNAGAAALDH1A1KDM4EPOLB
SCHEMBL1801100 0.82 CXCR3 (0.39) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL1799234 0.81 GPR183 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL2934540 0.81 GPR183 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL1798600 0.81 NPC1 (0.48) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2942437 0.81 LMNA (0.46) LMNAGAAMEN1KMT2AALDH1A1

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-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
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 disclosed