SCHEMBL4398650

SCHEMBL4398650

C[C@H]1CN(CCN2CCC(NC(=O)Oc3cc4c(OCC5CCC5)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
PARP1 P09874 2/20 0.34
HTR7 P34969 4/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
DRD2 P14416 2/20 0.33
SLC6A4 P31645 1/20 0.33
FAAH O00519 3/20 0.33
HTR1A P08908 1/20 0.32
HTR6 P50406 1/20 0.32
HTR4 Q13639 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
SCHEMBL2321353 0.91 GUCY1B2 (0.31) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KMT2A
SCHEMBL4405338 0.90 TERT (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4396907 0.89 GUCY1B2 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4400739 0.89 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4405858 0.88 PARP1 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4396942 0.88 PARP1 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4412712 0.88 LMNA (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL914328 0.88 KMT2A (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4551076 0.87 HTR1A (0.33) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PARP1
SCHEMBL4400766 0.86 TERT (0.37) PARP1HTR7DRD2SLC6A4FAAH

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