SCHEMBL8015461

SCHEMBL8015461

N#CC1=C(Nc2cc(F)cc(F)c2)CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSZ Q9UBR2 3/20 0.40
CTSV O60911 2/20 0.40
CTSB P07858 2/20 0.40
CTSH P09668 2/20 0.40
CTSK P43235 2/20 0.40
CASP4 P49662 2/20 0.40
PLAT P00750 1/20 0.40
CASP14 P31944 1/20 0.40
CASP5 P51878 1/20 0.40
CASP6 P55212 1/20 0.40
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8017798 0.83 MAPT (0.71) LMNAMAPTCTSLCTSSCTSB
SCHEMBL8015744 0.79 MAPT (0.66) LMNAMAPTCTSLCTSSCTSB
SCHEMBL8006080 0.79 LMNA (0.57) LMNAMAPTALDH1A1POLBTDP1
SCHEMBL8006281 0.79 MAPT (0.60) LMNAMAPTALDH1A1POLBTDP1
SCHEMBL8019313 0.74 MAPT (0.48) LMNAMAPTALDH1A1POLBTDP1
SCHEMBL8017383 0.72 MAPT (0.71) LMNAMAPTGRM5ALDH1A1POLB
SCHEMBL5682845 0.71 MAPT (0.55) LMNAMAPTCTSLCTSSCTSZ
SCHEMBL8022790 0.70 LMNA (0.50) LMNAMAPTALDH1A1POLBTDP1
SCHEMBL5929653 0.65
SCHEMBL392912 0.65 RAPGEF4 (0.54) RAB9APAX8RAPGEF4EPAS1SOS1

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed