SCHEMBL4794629

SCHEMBL4794629

CN(C)C1CCN(c2ccc(N)cc2)C1.CN1CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ GFER P55789 3/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ADRA2C P18825 2/20 0.56
▸ PTK2B Q14289 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ CHKA P35790 2/20 0.45
▸ SYK P43405 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL188535 0.86 MCHR1 (0.48) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL188110 0.86 MCHR1 (0.48) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL188111 0.86 MCHR1 (0.48) MAPTKDM4EGAAALDH1A1GFER
Hydrochloric Acid SCHEMBL5388918 0.85 MCHR1 (0.47) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL3440096 0.83 MAPT (0.49) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL6223422 0.82 MAPT (0.51) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL217159 0.82 MAPT (0.85) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL3440110 0.81 MAPT (0.53) MAPTKDM4EGAAALDH1A1GFER
Hydrochloric Acid SCHEMBL5203720 0.80 MAPT (0.81) MAPTKDM4EGAAALDH1A1GFER
SCHEMBL1409679 0.80 MAPT (0.53) MAPTKDM4EGAAALDH1A1GFER

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-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 — — EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 — — WO disclosed
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