SCHEMBL1747643

SCHEMBL1747643

CC1(C)OCC(Cc2ccc(N)cc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CA2 P00918 2/20 0.41
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 1/20 0.36
MAPT P10636 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8977956 0.85 ALDH1A1 (0.43) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL1081573 0.83 TMEM97 (0.45) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL1081575 0.83 TMEM97 (0.45) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL2458179 0.83 TMEM97 (0.42) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL23146060 0.83 SIGMAR1 (0.42) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL23146337 0.83 TMEM97 (0.45) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL11105943 0.83 TMEM97 (0.56) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL7968239 0.80 CA2 (0.46) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL7968245 0.80 CA2 (0.46) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL27721306 0.80 CA2 (0.46) TMEM97SIGMAR1CA2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 US disclosed