SCHEMBL4713775

SCHEMBL4713775

Cc1nc(/C=C/c2cccc(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 17/20 0.56
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
MGLL Q99685 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4713778 1.00 HSD11B1 (0.56) HSD11B1LMNAKMT2AMGLLHTT
SCHEMBL4711260 0.84 HSD11B1 (0.60) HSD11B1LMNAKMT2AMGLLHTT
SCHEMBL4711259 0.84 HSD11B1 (0.60) HSD11B1LMNAKMT2AMGLLHTT
SCHEMBL4715310 0.78 HSD11B1 (0.56) HSD11B1LMNAKMT2AHTT
SCHEMBL9236780 0.69 HSD11B1 (0.73) HSD11B1LMNAKMT2AMGLLHTT
SCHEMBL6210786 0.69 HSD11B1 (0.73) HSD11B1LMNAKMT2AMGLLHTT
SCHEMBL6236172 0.69 HSD11B1 (1.00) HSD11B1LMNAMGLL
SCHEMBL6209947 0.68 HSD11B1 (1.00) HSD11B1LMNAKMT2AMGLL
SCHEMBL6208828 0.68 HSD11B1 (0.68) HSD11B1MGLL
SCHEMBL4712675 0.68 HSD11B1 (0.60) HSD11B1MGLL

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

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