SCHEMBL2824618

SCHEMBL2824618

CC(C)(Oc1ccc(Cl)cc1F)/C(=N/C#N)N[C@H]1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.47
HSD11B2 P80365 3/20 0.47
POLB P06746 1/20 0.38
CNR2 P34972 2/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GPR6 P46095 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL2823410 1.00 HSD11B1 (0.47) HSD11B1HSD11B2POLBCNR2MAPK1
SCHEMBL2823390 0.90 HSD11B1 (0.38) HSD11B1HSD11B2MAPK1ALDH1A1RAB9A
SCHEMBL2823391 0.90 HSD11B1 (0.38) HSD11B1HSD11B2MAPK1ALDH1A1RAB9A
SCHEMBL2823676 0.86 HSD11B1 (0.52) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2823671 0.86 HSD11B1 (0.52) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2824910 0.84 HSD11B1 (0.45) HSD11B1HSD11B2MAPK1ALDH1A1RAB9A
SCHEMBL2824905 0.84 HSD11B1 (0.45) HSD11B1HSD11B2MAPK1ALDH1A1RAB9A
SCHEMBL2827919 0.82 HSD11B1 (0.40) HSD11B1HSD11B2MAPK1ALDH1A1KMT2A
SCHEMBL2827916 0.82 HSD11B1 (0.40) HSD11B1HSD11B2MAPK1ALDH1A1KMT2A
SCHEMBL2827933 0.81 HSD11B1 (0.56) HSD11B1HSD11B2

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed