SCHEMBL2812388

SCHEMBL2812388

COc1cccnc1N1CCCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.49
SLC2A1 P11166 1/20 0.47
SLC2A2 P11168 1/20 0.47
SLC2A3 P11169 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL29086088 0.85 SLC2A1 (0.52) SLC2A1SLC2A2SLC2A3ALDH1A1CYP2C9
SCHEMBL30585959 0.85 SLC2A1 (0.52) SLC2A1SLC2A2SLC2A3ALDH1A1CYP2C9
SCHEMBL3503998 0.84 PDE10A (0.52) RBP4MEN1KMT2AMALT1
SCHEMBL27815937 0.80 CYP1A2 (0.51) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL3072488 0.80 TRPA1 (0.58) MALT1
SCHEMBL13030063 0.79 SLC2A1 (0.48) RBP4SLC2A1SLC2A2SLC2A3ALDH1A1
SCHEMBL11359476 0.79 POLB (0.55) MALT1TP53
SCHEMBL20339483 0.76 TRPV1 (0.61) ALDH1A1KMT2A
SCHEMBL8421945 0.76 ALDH1A1 (0.70) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL239605 0.76 MALT1 (0.61) KDM4ECYP2C19KMT2AMALT1

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-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed