SCHEMBL14101995

SCHEMBL14101995

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2ccn3CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.38
F2 P00734 3/20 0.38
NOTUM Q6P988 1/20 0.35
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
HTR6 P50406 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL4721425 0.90 F10 (0.33) F10MAPTHTTHTR6
SCHEMBL4722250 0.90 F10 (0.37) F10F2HTR6
SCHEMBL4719604 0.90 F10 (0.33) F10MAPTHTTHTR6
SCHEMBL4722255 0.90 F10 (0.37) F10F2HTR6
SCHEMBL4722027 0.89 KHK (0.34) F10MAPTHTTHTR6
SCHEMBL14102004 0.87 F10 (0.37) F10F2NOTUMSLC16A3SLC16A1
SCHEMBL4721308 0.86 ITGB2 (0.37) F10
SCHEMBL4722039 0.86 ITGB2 (0.37) F10
SCHEMBL4721312 0.86 ITGB2 (0.37) F10
SCHEMBL14102024 0.84 NOTUM (0.33) F10F2NOTUMMAPTTDP1

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