SCHEMBL9834895

SCHEMBL9834895

NN1CCCC(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.60
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ROCK2 O75116 1/20 0.41
KMT2A Q03164 2/20 0.41
F2 P00734 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL28942364 0.90 HSD11B1 (0.59) HSD11B1DDB1CRBNALDH1A1ROCK2
Hydrochloric Acid SCHEMBL5236156 0.89 HSD11B1 (0.57) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL22450145 0.81 HSD11B1 (0.56) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL6734403 0.81 HSD11B1 (0.56) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL14806640 0.80 HSD11B1 (0.46) HSD11B1
SCHEMBL6732065 0.79 HSD11B1 (0.55) HSD11B1DDB1CRBNALDH1A1KMT2A
SCHEMBL253085 0.77 CYP27A1 (0.44) HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL22450119 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1F2SIGMAR1
SCHEMBL2986964 0.75 HSD11B1 (1.00) HSD11B1DDB1CRBNALDH1A1ROCK2
SCHEMBL3125721 0.75 HSD11B1 (0.50) HSD11B1KMT2AF2MEN1

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-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed