SCHEMBL6609697

SCHEMBL6609697

CN(C)C(=O)CN(C)c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
LMNA P02545 2/20 0.44
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 1/20 0.42
CNR2 P34972 2/20 0.41
MGAM O43451 1/20 0.41
PTK2 Q05397 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PRNP P04156 2/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6602116 0.86 NCF1 (0.56) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL27669007 0.80 NCF1 (0.49) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL6602159 0.77 NCF1 (0.61) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL6276706 0.76 NCF1 (0.59) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL5911169 0.75 NCF1 (0.63) NCF1LMNACYP1A2HIF1APTK2
SCHEMBL28746527 0.74 NCF1 (0.53) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL4783071 0.73 NCF1 (0.61) NCF1LMNACYP1A2HIF1ACNR2
Hydrochloric Acid SCHEMBL11799344 0.72 NCF1 (0.59) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL11799340 0.72 NCF1 (0.59) NCF1LMNACYP1A2HIF1ACNR2
SCHEMBL5161504 0.72 ALDH1A1 (0.55) LMNACNR2MGAMMAPTALDH1A1

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-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed