SCHEMBL3937280

SCHEMBL3937280

O=C(O)CCCc1ccc(F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
DAO P14920 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL29009736 0.89 FFAR1 (0.55) FFAR1DAOCXCR1CXCR2FFAR4
SCHEMBL29404687 0.89 FFAR1 (0.55) FFAR1DAOCXCR1CXCR2FFAR4
SCHEMBL11656517 0.81 HDAC3 (0.53) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL15270538 0.79 TSHR (0.50) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL9655945 0.79 FFAR1 (0.45) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL3931024 0.79 RXRA (0.46) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL7206139 0.79 SMN1; SMN2 (0.47) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL3925637 0.79 KMT2A (0.49) FFAR1DAOSMN1; SMN2HDAC3MAPK1
SCHEMBL3933040 0.79 FAAH (0.43) SMN1; SMN2CXCR1CXCR2CYP1A2CYP2C19
SCHEMBL18010861 0.78 LTA4H (0.47) FFAR1FFAR4TBXAS1

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
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed