SCHEMBL7922030

SCHEMBL7922030

CCOC(=O)NC1=NC2(CCc3c(C=O)cccc3C2)CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NR1I3 Q14994 3/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL7921745 0.88 F2R (0.38) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7911135 0.87 ALDH1A1 (0.34) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7924679 0.86 TAAR1 (0.35) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL12230553 0.81 HPGD (0.39) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7923388 0.77 CYP1A2 (0.36) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL12203758 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL12203761 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL12203757 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7918297 0.70 ROCK2 (0.39) ALDH1A1TAAR1ADRA2ANPC1RAB9A
SCHEMBL12203754 0.70 KDM4E (0.35) ALDH1A1HPGDRAB9ASMN1; SMN2HSD17B10

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-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed