SCHEMBL7958631

SCHEMBL7958631

CC(C)(C)[Si](C)(C)OC1CCN(c2ccncc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
ACACB O00763 3/20 0.39
CHKA P35790 1/20 0.39
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HTR7 P34969 1/20 0.34
BUB1 O43683 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B2 P19099 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
SCHEMBL1751867 0.84 USP30 (0.36) HRH3ACACB
SCHEMBL25243349 0.84 MAPT (0.38) HRH3ACACB
SCHEMBL1751868 0.84 USP30 (0.36) HRH3ACACB
SCHEMBL25243350 0.84 MAPT (0.38) HRH3ACACB
SCHEMBL29183354 0.82 ACACB (0.39) ACACB
SCHEMBL29183419 0.82 ACACB (0.39) ACACB
SCHEMBL29183355 0.82 ACACB (0.39) ACACB
SCHEMBL7956455 0.79 ROCK2 (0.37) ACACB
SCHEMBL7947607 0.79 RPS6KB1 (0.38) HRH3CYP11B2
SCHEMBL20037561 0.79 HRH3 (0.40) HRH3ACACB

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed