SCHEMBL704581

SCHEMBL704581

COc1cccc(C(C)(O)c2ncc[nH]2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.37
ADRA1A P35348 4/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1B P35368 3/20 0.37
CYP19A1 P11511 2/20 0.35
CASR P41180 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
GRM5 P41594 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
CFB P00751 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL1573354 0.83 TAAR1 (0.40) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL698787 0.81 CYP19A1 (0.43) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL697634 0.81 CYP19A1 (0.37) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL697369 0.80 ADRA2A (0.43) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL698375 0.77 CYP19A1 (0.40) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL699180 0.75 CYP19A1 (0.47) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL27733474 0.75 CYP19A1 (0.47) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL697917 0.73 CYP19A1 (0.38) CYP19A1TAAR1
SCHEMBL706070 0.73 CYP19A1 (0.48) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL696761 0.73 TAAR1 (0.40) CYP19A1TAAR1

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-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed