SCHEMBL2321353

SCHEMBL2321353

C[C@H]1CN(CCC2(O)CCC(NC(=O)Oc3cc4c(OCC5CCC5)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 0.31
KMT2A Q03164 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL2314265 0.92 GRM4 (0.33)
SCHEMBL4398650 0.91 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KMT2A
SCHEMBL13519606 0.89 KMT2A (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KMT2A
SCHEMBL2319128 0.89 KMT2A (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KMT2A
SCHEMBL2321394 0.88 PTGIR (0.31)
SCHEMBL2316451 0.86 SRD5A2 (0.30)
SCHEMBL2313919 0.86 SIGMAR1 (0.33) KMT2A
SCHEMBL2319013 0.86 LTA4H (0.32)
SCHEMBL2318163 0.85 DRD2 (0.36) KMT2A
SCHEMBL2317120 0.85 MCHR1 (0.34) KMT2A

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-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP claimed