SCHEMBL20149231

SCHEMBL20149231

CCC(CC)c1cc(F)c(N)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
SHBG P04278 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
SCHEMBL18925630 0.76 EIF4A3 (0.36) PDE2AALDH1A1
SCHEMBL19151612 0.76 ADRB2 (0.38) ALDH1A1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL30977563 0.75 ALDH1A1 (0.39) ALDH1A1ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL5151815 0.74 AKR1C3 (0.40)
SCHEMBL22000138 0.73 ALDH1A1 (0.38) PDE2AALDH1A1HSD17B10
SCHEMBL8281098 0.72 ADRB2 (0.35) PDE2AALDH1A1ADRB2CYP3A4HSD17B10
SCHEMBL28784595 0.71 MAPT (0.35) ALDH1A1CYP3A4HSD17B10
SCHEMBL1099578 0.71 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10
SCHEMBL13532052 0.70 RORC (0.41) ALDH1A1CYP3A4HSD17B10
SCHEMBL27668309 0.69 ALDH1A1 (0.40) ALDH1A1

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
WO-2018089373-A9 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
WO-2018089373-A2 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed