SCHEMBL11075907

SCHEMBL11075907

COc1ccc(CCN2CCC[C@@H](CO)C2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
GAA P10253 2/20 0.51
EBP Q15125 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
POLB P06746 1/20 0.49
SMPD1 P17405 1/20 0.49
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL11076598 1.00 MAPT (0.58) MAPTHTTSIGMAR1GAAEBP
SCHEMBL7815093 1.00 MAPT (0.58) MAPTHTTSIGMAR1GAAEBP
Hydrochloric Acid SCHEMBL11076058 0.99 MAPT (0.57) MAPTHTTSIGMAR1GAAEBP
SCHEMBL9739025 0.93 HTR1A (0.56) MAPTSIGMAR1EBPTMEM97HTR1A
SCHEMBL6769203 0.88 SIGMAR1 (0.50) SIGMAR1GAAEBPALDH1A1KDM4E
SCHEMBL11073388 0.88 GAA (0.51) SIGMAR1GAAEBPALDH1A1KDM4E
SCHEMBL11071315 0.88 GAA (0.51) SIGMAR1GAAEBPALDH1A1KDM4E
SCHEMBL9740208 0.88 HTR1A (0.52) SIGMAR1GAAEBPALDH1A1KDM4E
SCHEMBL7809212 0.88 GAA (0.51) SIGMAR1GAAEBPALDH1A1KDM4E
SCHEMBL8329181 0.88 MAPT (0.67) MAPTHTTGAAALDH1A1KDM4E

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
US-4481207-A CALCIUM ANTAGONISTS, HYPOTENSIVES SYNTHELABO (FR) 1984-11-06 US disclosed