SCHEMBL7345333

SCHEMBL7345333

CN1CCN(CC(=O)Nc2ccc(C(=O)NOC(C)(C)C)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL30969294 0.81 POLB (0.70) ATMKMT2AMEN1LMNAGAA
SCHEMBL14587230 0.81 ATM (0.63) ATMKMT2AMEN1LMNAGAA
SCHEMBL7346193 0.80 HDAC6 (0.41) ATMKMT2AMEN1LMNAGAA
SCHEMBL12167622 0.79 LMNA (0.90) ATMKMT2AMEN1LMNAGAA
SCHEMBL7348711 0.78 HDAC6 (0.45) ATMKMT2AMEN1
SCHEMBL1409602 0.78 LMNA (0.65) ATMKMT2AMEN1LMNAGAA
SCHEMBL8288400 0.78 LMNA (0.68) ATMKMT2AMEN1LMNAGAA
SCHEMBL7343435 0.77 CACNA2D1 (0.46) LMNAGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL31559143 0.76 GAA (0.67) ATMKMT2AMEN1LMNAGAA
SCHEMBL31559145 0.76 GAA (0.67) ATMKMT2AMEN1LMNAGAA

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
EP-0658157-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-06-21 EP disclosed
WO-1994005648-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-17 WO disclosed
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed