SCHEMBL14042632

SCHEMBL14042632

Fc1cccc(CC(NC2=NCCN2)c2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ NISCH Q9Y2I1 6/20 0.41
▸ ADRA2A P08913 4/20 0.39
▸ ADRA2B P18089 3/20 0.39
▸ ADRA2C P18825 3/20 0.39
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39
▸ ADRA1A P35348 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL14042574 0.91 LMNA (0.46) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL14042624 0.82 NISCH (0.45) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL14042628 0.82 NISCH (0.50) LMNANISCHADRA2AADRA2BADRA2C
SCHEMBL14042629 0.81 NISCH (0.46) LMNANISCHADRA2AADRA2BADRA2C
SCHEMBL4788507 0.81 SLC6A2 (0.46) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL949042 0.79 KDM4E (0.52) LMNANISCHADRA2AADRA2BADRA2C
SCHEMBL14042630 0.79 CYP2D6 (0.46) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL4788583 0.79 NISCH (0.43) LMNANISCHADRA2AADRA2BADRA2C
Iodide SCHEMBL951481 0.78 KDM4E (0.51) LMNANISCHADRA2AADRA2BADRA2C
SCHEMBL14042021 0.78 NISCH (0.43) LMNANISCHADRA2AADRA2BADRA2C

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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