SCHEMBL14101733

SCHEMBL14101733

CCOC(=O)N1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.38
F2 P00734 3/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCR1 P32246 1/20 0.32
APP P05067 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA1 P30542 1/20 0.32
CASP6 P55212 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
SCHEMBL14101734 0.91 ALDH1A1 (0.35) F10F2ALDH1A1GAAMAPT
SCHEMBL4720459 0.90 F10 (0.40) F10F2MAPTSLC16A3SLC16A1
SCHEMBL4718554 0.90 P2RX7 (0.36) F10F2TSHRMAPTKDM4E
SCHEMBL4718551 0.90 P2RX7 (0.36) F10F2TSHRMAPTKDM4E
SCHEMBL4718815 0.89 TSHR (0.37) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL4720123 0.87 SMPD3 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL4720117 0.87 SMPD3 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL14101712 0.85 F10 (0.39) F10F2MAPTSLC16A3SLC16A1
SCHEMBL14101709 0.85 F10 (0.39) F10F2MAPTSLC16A3SLC16A1
SCHEMBL4724288 0.85 F10 (0.40) F10F2MAPTNPSR1SLC16A3

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed