SCHEMBL6225876

SCHEMBL6225876

[NH]CCCC1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
HRH4 Q9H3N8 2/20 0.46
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACP1 P24666 3/20 0.36
NOS2 P35228 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
EPHX1 P07099 1/20 0.34
EED O75530 2/20 0.33

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
SCHEMBL6219900 0.87
SCHEMBL1099710 0.87
SCHEMBL7704486 0.87 HRH3 (0.53) HRH3HRH4KMT2ANAAACPN1
SCHEMBL11170648 0.85 HRH3 (0.51) HRH3HRH4KMT2ANAAACPN1
SCHEMBL1097000 0.79 HRH3 (0.51) HRH3HRH4KMT2ANAAACPN1
SCHEMBL1071426 0.79 HRH3 (0.47) HRH3HRH4KMT2ANAAACPN1
SCHEMBL9438655 0.79 HRH3 (0.47) HRH3HRH4KMT2ANAAACPN1
SCHEMBL4573782 0.79 HRH3 (0.47) HRH3HRH4KMT2ANAAACPN1
SCHEMBL15358134 0.79 HRH3 (0.47) HRH3HRH4KMT2ANAAACPN1
SCHEMBL3990254 0.79 HRH3 (0.47) HRH3HRH4KMT2ANAAACPN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US claimed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO claimed
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US disclosed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP disclosed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed