SCHEMBL9626352

SCHEMBL9626352

CC(=O)CCc1ccc(OCc2cccc(C#N)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.79
FFAR4 Q5NUL3 6/20 0.79
MAOB P27338 2/20 0.56
AKR1B1 P15121 1/20 0.53
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL6364918 0.85 FFAR1 (0.55) FFAR1FFAR4KCNH2
SCHEMBL9626622 0.82 MAOB (0.65) FFAR1FFAR4MAOBAKR1B1
SCHEMBL9626424 0.82 MAOB (0.69) FFAR1FFAR4MAOBAKR1B1
SCHEMBL9626407 0.82 MAOB (0.69) FFAR1FFAR4MAOBAKR1B1
SCHEMBL5033197 0.81 FFAR1 (0.77) FFAR1FFAR4MAOBAKR1B1
SCHEMBL9627314 0.80 FFAR1 (0.68) FFAR1FFAR4MAOBCYP19A1CYP11B1
SCHEMBL14163905 0.79 FFAR1 (0.63) FFAR1FFAR4MAOBCYP19A1CYP11B1
SCHEMBL7849454 0.78 FFAR1 (0.62) FFAR1FFAR4MAOBCYP19A1CYP11B1
SCHEMBL13232461 0.78 GRM5 (0.62) FFAR1FFAR4MAOBCYP19A1CYP11B1
SCHEMBL8549374 0.78 FFAR1 (0.60) FFAR1FFAR4MAOB

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed