SCHEMBL5602637

SCHEMBL5602637

CC1=C(C(F)(F)F)c2ccccc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MPL P40238 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5602645 0.72 HSD11B1 (0.38) HSD11B1TSHRHTTTRPA1TRPM8
SCHEMBL1091995 0.72 HSD11B1 (0.34) HSD11B1TSHRALDH1A1
SCHEMBL5602458 0.66 HSD11B1 (0.35) HSD11B1TSHRHTTTRPA1TRPM8
SCHEMBL5602449 0.66 HSD11B1 (0.40) HSD11B1TSHRTRPA1TRPM8TRPV1
SCHEMBL24062 0.64 MEN1 (0.37) TSHRHTTALDH1A1
SCHEMBL5600573 0.63 HSD11B1 (0.41) HSD11B1MPL
SCHEMBL28367426 0.63 GPR3 (0.44) HSD11B1TSHRMPLALDH1A1
SCHEMBL28372461 0.63 GPR3 (0.49) HSD11B1TSHRALDH1A1
SCHEMBL27860206 0.62 MEN1 (0.35) TSHRHTTALDH1A1
SCHEMBL27971780 0.62 MEN1 (0.35) TSHRHTTALDH1A1

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed