SCHEMBL4089851

SCHEMBL4089851

FC(F)(F)c1cc(CON2CCCCC2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.55
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL5161939 0.88 TACR1 (0.43) TACR1
Hydrochloric Acid SCHEMBL9025807 0.80 TACR1 (0.44) TACR1
SCHEMBL9042626 0.77 TACR1 (0.44) TACR1
Hydrochloric Acid SCHEMBL8542728 0.75 TACR1 (0.54) TACR1
SCHEMBL27908231 0.73 CHRNB2 (0.49)
SCHEMBL21836003 0.72 CHRNB2 (0.40) TSHRSMN1; SMN2
SCHEMBL9024202 0.72 TACR1 (0.43) TACR1
SCHEMBL9370843 0.71 TACR1 (0.46) TACR1
SCHEMBL7530795 0.71 CHRNB2 (0.42) CYP2D6CYP2C19NPSR1
Hydrochloric Acid SCHEMBL9076466 0.70 TACR1 (0.49) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079301-A1 IMPROVED TISSUE MAINTENANCE Hibernation Therapeutics Limited (AU) 2009-07-22 EP disclosed
WO-2007137321-A1 IMPROVED TISSUE MAINTENANCE HIBERNATION THERAPEUTICS LIMITED (AU) 2007-12-06 WO disclosed