SCHEMBL4396907

SCHEMBL4396907

O=C(NC1CCN(CCN2CCC[C@@H](O)C2)CC1)Oc1cc2c(OCC3CCC3)cccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
PARP1 P09874 3/20 0.33
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL4405338 0.93 TERT (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4400739 0.92 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4412712 0.91 LMNA (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4400766 0.89 TERT (0.37) DRD2SLC6A4PARP1HTR7HTR1A
SCHEMBL4404430 0.89 HTR4 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4398650 0.89 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4406787 0.88 PARP1 (0.37) PARP1HTR7HTR1AKMT2AACHE
SCHEMBL4405829 0.88 PARP1 (0.37) PARP1HTR7HTR1AKMT2AACHE
SCHEMBL913758 0.87 KMT2A (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1DRD2
SCHEMBL4411263 0.84 SLC6A3 (0.37) DRD2HTR1AKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed