SCHEMBL696761

SCHEMBL696761

Cc1cccc(C(C)(O)c2ncc[nH]2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
CYP19A1 P11511 1/20 0.35
F2RL1 P55085 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PARP1 P09874 1/20 0.31
AR P10275 1/20 0.30
HSD11B1 P28845 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
SCHEMBL696368 0.84 TAAR1 (0.42) TAAR1CYP19A1F2RL1GABRA1GABRB2
SCHEMBL1573354 0.83 TAAR1 (0.40) TAAR1CYP19A1F2RL1GABRA1GABRB2
SCHEMBL697775 0.81 TAAR1 (0.44) TAAR1CYP19A1PARP1HSD11B1
SCHEMBL696829 0.81 TAAR1 (0.44) TAAR1CYP19A1F2RL1PARP1
SCHEMBL699180 0.81 CYP19A1 (0.47) TAAR1CYP19A1F2RL1GABRA1GABRB2
SCHEMBL697435 0.80 CYP19A1 (0.46) TAAR1CYP19A1PARP1
SCHEMBL697724 0.78 TAAR1 (0.46) TAAR1CYP19A1F2RL1GABRA1GABRB2
SCHEMBL697634 0.78 CYP19A1 (0.37) TAAR1CYP19A1F2RL1
SCHEMBL697917 0.76 CYP19A1 (0.38) TAAR1CYP19A1F2RL1HSD11B1
SCHEMBL1573181 0.76 CYP19A1 (0.40) TAAR1CYP19A1F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN disclosed