SCHEMBL4786748

SCHEMBL4786748

O=C1CCNCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CXCR4 P61073 2/20 0.42

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
SCHEMBL2393298 0.85 L3MBTL1 (0.63) HTR2CHTR2BL3MBTL1SIGMAR1MEN1
SCHEMBL4692001 0.85 MEN1 (0.47) L3MBTL1MAPTHTR3EHTR3BADRB1
SCHEMBL24322587 0.82 PKM (0.59) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL10399987 0.81 L3MBTL1 (0.67) L3MBTL1HRH3ERCC1ERCC4KCNH2
SCHEMBL13664775 0.78 SMN1; SMN2 (0.48) L3MBTL1HRH3ERCC1ERCC4KCNH2
SCHEMBL5662698 0.77 RAB9A (0.47) MAPTMEN1KMT2AALDH1A1
SCHEMBL4749191 0.75 ALDH1A1 (0.71) MAPTSIGMAR1ERCC1ERCC4KCNH2
SCHEMBL208118 0.74 SIGMAR1 (0.68) MAPTHRH3HTR3EHTR3BADRB1
SCHEMBL5734193 0.74 SIGMAR1 (0.68) MAPTHRH3HTR3EHTR3BADRB1
SCHEMBL15038459 0.73 ERCC1 (0.54) MAPTSIGMAR1ERCC1ERCC4KCNH2

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
WO-2008136754-A1 NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES ASTRAZENECA AB (SE) 2008-11-13 WO claimed
WO-2008136754-A1 NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136754-A1 NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES ASTRAZENECA AB (SE) 2008-11-13 WO disclosed