SCHEMBL14697113

SCHEMBL14697113

c1ccc(CC2=NCCCCCC2Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CNR2 P34972 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL14697112 1.00 HSD11B1 (0.41) HSD11B1POLBADRA2AADRA2BADRA2C
SCHEMBL8174246 0.74 MEN1 (0.39) HSD11B1POLBADRA2AADRA2BADRA2C
SCHEMBL23860295 0.72 HSD11B1 (0.44) HSD11B1POLBUSP2HPGDHSD17B10
SCHEMBL7960836 0.72 HSD11B1 (0.44) HSD11B1POLBUSP2HPGDHSD17B10
SCHEMBL11790156 0.71 HSD11B1 (0.57) HSD11B1POLBCNR2DDB1CRBN
SCHEMBL15743127 0.70 DDB1 (0.42) HSD11B1POLBDDB1CRBNNOS3
SCHEMBL6853571 0.70 HSD11B1 (0.43) HSD11B1POLBADRA2AADRA2BADRA2C
SCHEMBL8676314 0.69 DDB1 (0.51) HSD11B1POLBDDB1CRBN
SCHEMBL19050135 0.69 DDB1 (0.51) HSD11B1POLBDDB1CRBN
SCHEMBL8676485 0.69 DDB1 (0.51) HSD11B1POLBDDB1CRBN

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
WO-2013025736-A2 DENDRON REPORTER MOLECULES SETA BIOMEDICALS, LLC (US) 2013-02-21 WO disclosed