SCHEMBL8197665

SCHEMBL8197665

FC(F)(F)c1cc(-c2ccc3oc(-c4ccccc4C4=NCCN4)cc3c2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 10/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ PRMT1 Q99873 2/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PRMT8 Q9NR22 1/20 0.46
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL8202555 0.93 NISCH (0.48) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL8199821 0.92 NISCH (0.50) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL6824276 0.89 PRMT1 (0.56) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL7727877 0.88 PRMT1 (0.55) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL8194569 0.86 NISCH (0.56) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL8200670 0.85 NISCH (0.53) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL8198114 0.84 NISCH (0.54) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL8198751 0.83 NISCH (0.54) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL8196630 0.83 NISCH (0.53) NISCHALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL6826650 0.83 NISCH (0.56) NISCHALDH1A1CYP1A2HSD17B10CYP2D6

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
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 — — WO disclosed
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