SCHEMBL7921745

SCHEMBL7921745

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.38
HPGD P15428 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12230553 0.91 HPGD (0.39) F2RHPGDMEN1KMT2ANPSR1
SCHEMBL7911135 0.89 ALDH1A1 (0.34) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL7922030 0.88 ALDH1A1 (0.34) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL7924679 0.88 TAAR1 (0.35) F2RHPGDMEN1KMT2AALDH1A1
SCHEMBL7923388 0.83 CYP1A2 (0.36) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12203757 0.82 SMN1; SMN2 (0.37) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12203758 0.82 SMN1; SMN2 (0.37) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12203761 0.82 SMN1; SMN2 (0.37) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL7918297 0.80 ROCK2 (0.39) ALDH1A1MAPTTAAR1ADRA2ANPC1
SCHEMBL7919982 0.77 TAAR1 (0.42) TAAR1ADRA2A

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