SCHEMBL8322227

SCHEMBL8322227

[CH2]C(C)(N)C(CCCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2A P28223 5/20 0.37
HRH1 P35367 4/20 0.37
RIPK1 Q13546 2/20 0.37
AOC3 Q16853 2/20 0.37
CSNK1E P49674 1/20 0.36
HTT P42858 1/20 0.35
CTSK P43235 2/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
Hydrochloric Acid SCHEMBL11127650 0.84 POLB (0.40) POLBKDM4EALDH1A1HTR2AHRH1
Water SCHEMBL11427319 0.84 POLB (0.40) POLBKDM4EALDH1A1HTR2AHRH1
SCHEMBL11307941 0.81 POLB (0.40) POLBKDM4EALDH1A1HTR2AHRH1
SCHEMBL28686414 0.79 POLB (0.39) POLBKDM4EALDH1A1HTR2AHRH1
SCHEMBL11303207 0.79 POLB (0.39) POLBKDM4EALDH1A1HTR2AHRH1
Water SCHEMBL11433511 0.79 POLB (0.39) POLBKDM4EALDH1A1HTR2AHRH1
Hydrochloric Acid SCHEMBL11129021 0.79 POLB (0.39) POLBKDM4EALDH1A1HTR2AHRH1
SCHEMBL9147002 0.79 HTR2A (0.44) HTR2ACSNK1ESIGMAR1
SCHEMBL8536105 0.79 POLB (0.41) POLBKDM4EALDH1A1HTR2AHRH1
SCHEMBL8536103 0.79 POLB (0.41) POLBKDM4EALDH1A1HTR2AHRH1

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-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed