SCHEMBL7348298

SCHEMBL7348298

COc1ccc(N(C(=O)CN2CCN(C)CC2)c2ccc(C(=O)NOC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HCN1 O60741 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
GHSR Q92847 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
SCHEMBL7346193 0.95 HDAC6 (0.41) POLBTP53ALDH1A1LMNAKMT2A
SCHEMBL7343435 0.91 CACNA2D1 (0.46) RAB9ATP53ALDH1A1LMNAKDM4E
Oxalic Acid SCHEMBL9282086 0.89 ALDH1A1 (0.45) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7346581 0.85 MAPT (0.49) POLBTP53ALDH1A1LMNAKDM4E
SCHEMBL7340694 0.82 MAPT (0.44) POLBTP53ALDH1A1LMNAKDM4E
SCHEMBL7348711 0.80 HDAC6 (0.45) KMT2A
SCHEMBL7337534 0.79 ALDH1A1 (0.46) TP53ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7349855 0.77 CACNA2D1 (0.43) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL7345333 0.76 ATM (0.61) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL7349008 0.73 CACNA2D1 (0.40) NPC1RAB9ATP53ALDH1A1LMNA

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 5 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 claimed
WO-1994005648-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-17 WO claimed
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