SCHEMBL8874508

SCHEMBL8874508

CC1(C)CC=C(c2ccccn2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.41
RUNX1 Q01196 1/20 0.41
GRM5 P41594 1/20 0.40
SCN9A Q15858 2/20 0.37
GPR39 O43194 2/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TRPV1 Q8NER1 3/20 0.33
CYP2D6 P10635 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 1/20 0.33
ABL1 P00519 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
BACE1 P56817 2/20 0.33
CHRM5 P08912 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
SCHEMBL8794576 0.84 CBFB (0.43) CBFBRUNX1GRM5SCN9AGPR39
SCHEMBL8315603 0.80 CBFB (0.42) CBFBRUNX1GRM5SCN9AGPR39
SCHEMBL8796995 0.78 CBFB (0.39) CBFBRUNX1GRM5SCN9AGPR39
SCHEMBL8798384 0.78 CBFB (0.37) CBFBRUNX1GRM5SCN9AGPR39
SCHEMBL9475647 0.77 CBFB (0.43) CBFBRUNX1GRM5SCN9AGPR39
SCHEMBL8795216 0.71 TRPV1 (0.41) CBFBRUNX1GRM5GPR39HCRTR1
SCHEMBL8796181 0.70 GRM4 (0.35) CBFBCYP2D6CYP3A4BACE1CTSD
SCHEMBL9381836 0.69 PSEN1 (0.36) CBFBRUNX1TLR7ABL1PSEN1
SCHEMBL8795032 0.69 PSEN1 (0.36) CBFBRUNX1SCN9AABL1PSEN1
SCHEMBL7291317 0.68 TRPV1 (0.36) TRPV1CYP2D6CYP3A4BACE1CTSD

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-5602152-A POTASSIUM CHANNEL MODULATOR MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 US disclosed