SCHEMBL4715310

SCHEMBL4715310

Cc1nc(C#Cc2cccc(F)c2)ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.56
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4712675 0.84 HSD11B1 (0.60) HSD11B1
SCHEMBL4715138 0.83 HSD11B1 (0.63) HSD11B1
SCHEMBL4714732 0.82 GRM5 (0.47)
SCHEMBL7266687 0.79 HSD11B1 (0.52) HSD11B1LMNAKMT2AALDH1A1HTT
SCHEMBL4713778 0.78 HSD11B1 (0.56) HSD11B1LMNAKMT2AHTT
SCHEMBL4713775 0.78 HSD11B1 (0.56) HSD11B1LMNAKMT2AHTT
SCHEMBL4712862 0.78 TP53 (0.46) LMNA
SCHEMBL4713917 0.75 GRM5 (0.41)
SCHEMBL4715216 0.74 GRM5 (0.51)
SCHEMBL4711260 0.71 HSD11B1 (0.60) HSD11B1LMNAKMT2AHTT

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-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed