SCHEMBL2828307

SCHEMBL2828307

CC(C)(C(=NC#N)NC1C2C[C]3CC(C2)CC1C3)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.57
HSD11B2 P80365 1/20 0.55
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2828305 1.00 HSD11B1 (0.57) HSD11B1HSD11B2ALDH1A1MAPT
SCHEMBL2827241 0.88 HSD11B1 (0.57) HSD11B1HSD11B2ALDH1A1MAPT
SCHEMBL2824524 0.87 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1MAPT
SCHEMBL3951382 0.87 HSD11B1 (0.74) HSD11B1HSD11B2ALDH1A1MAPT
SCHEMBL2830783 0.86 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2830784 0.86 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2826451 0.85 HSD11B1 (0.62) HSD11B1HSD11B2
SCHEMBL2826450 0.85 HSD11B1 (0.62) HSD11B1HSD11B2
SCHEMBL2822265 0.84 HSD11B1 (0.79) HSD11B1HSD11B2
SCHEMBL2822270 0.84 HSD11B1 (0.79) 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 2 patents. 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 claimed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed