SCHEMBL7345323

SCHEMBL7345323

CN1CCN(CC(N)=O)C(c2ccc(C(=O)NOC(C)(C)C)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.34
HDAC3 O15379 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 4/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
KDM1B Q8NB78 4/20 0.34
RCOR1 Q9UKL0 4/20 0.34
PDE5A O76074 1/20 0.34
PARP1 P09874 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL7346193 0.70 HDAC6 (0.41) GAAHDAC8ALDH1A1LMNAMAPT
SCHEMBL7345333 0.69 ATM (0.61) GAAALDH1A1LMNA
SCHEMBL7348711 0.69 HDAC6 (0.45) HDAC3HDAC8HDAC1HDAC2HDAC6
SCHEMBL7345340 0.68 CHRM2 (0.40) OPRK1GAAALDH1A1LMNAMAPT
SCHEMBL7343435 0.67 CACNA2D1 (0.46) GAAALDH1A1LMNAHDAC6
SCHEMBL7348298 0.67 POLB (0.45) ALDH1A1LMNAMAPT
Oxalic Acid SCHEMBL9282086 0.66 ALDH1A1 (0.45) GAAALDH1A1LMNA
SCHEMBL24835247 0.65 P2RX7 (0.38)
SCHEMBL7481751 0.64 ALDH1A1 (0.55) GAAALDH1A1LMNAMAPTHDAC1
SCHEMBL6119612 0.64 SRD5A2 (0.48) ALDH1A1MAPT

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