SCHEMBL8608329

SCHEMBL8608329

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(C3(OC4(c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)cn5)CC4)CC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ENPP2 Q13822 1/20 0.38
SIRT2 Q8IXJ6 14/20 0.36
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
KCNN4 O15554 1/20 0.30
NR1I2 O75469 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TRPM2 O94759 1/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
NR3C1 P04150 1/20 0.30
ERBB2 P04626 1/20 0.30
TP53 P04637 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7787692 0.83 SIRT2 (0.41) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7784539 0.80 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL7786406 0.80 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL15487989 0.80 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2KCNA3
SCHEMBL7787713 0.79 CYP11B1 (0.37) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7786397 0.79 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL7787709 0.77 CYP11B1 (0.37) CYP11B1CYP11B2ENPP2SIRT2
Formic Acid SCHEMBL7797545 0.73 SIRT2 (0.37) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL31646062 0.72 ENPP2 (0.34) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL1375313 0.72 HSD11B1 (0.36) CYP11B1CYP11B2ENPP2SIRT2OPRM1

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-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed