SCHEMBL4749208

SCHEMBL4749208

CC(=O)Oc1ccc(C(Cc2cccc(C#N)c2)NC2=NCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ GPR34 Q9UPC5 1/20 0.35
▸ WDR5 P61964 3/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL4787684 0.86 GAA (0.40) MAOBPTGIRSLC6A3
SCHEMBL4788015 0.85 MAOB (0.43) MAOBNLRP3GRM5CYP19A1CYP11B1
SCHEMBL4787772 0.83 POLB (0.41) MAOBPTGIRSLC6A3
SCHEMBL4748639 0.81 BCHE (0.46) MAOBWDR5
SCHEMBL4785391 0.74 ITGB1 (0.39) WDR5PTGIR
SCHEMBL4787640 0.71 HTR1B (0.39) MAOBCYP19A1CYP11B1CYP11B2SLC6A4
SCHEMBL4788381 0.71 FAAH (0.39) MAOBWDR5SLC6A2SLC6A4
SCHEMBL4788602 0.69 NISCH (0.44) MAOB
Formic Acid SCHEMBL4748418 0.69 FAAH (0.38) MAOBWDR5SLC6A2SLC6A4
SCHEMBL14042330 0.69 SLC6A2 (0.46) MAOBWDR5SLC6A2SLC6A4

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-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 — — WO disclosed
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