SCHEMBL14042571

SCHEMBL14042571

COc1cccc(CC(NC2=NCCN2)c2ccccc2)c1CO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ADRA2A P08913 3/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NISCH Q9Y2I1 4/20 0.36
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ CD274 Q9NZQ7 2/20 0.35
▸ WDR5 P61964 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
SCHEMBL14042630 0.88 CYP2D6 (0.46) PTGIRADRA2AHTR7ADRA1AADRA2B
SCHEMBL4788240 0.86 ADRA2A (0.44) PTGIRADRA2AHTR7ADRA1AADRA2B
SCHEMBL3430372 0.82 WDR5 (0.42) PTGIRHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL14042623 0.79 PTGIR (0.47) PTGIRMAPTADRA2AADRA2BADRA2C
SCHEMBL14042628 0.76 NISCH (0.50) LMNAMAPTADRA2AADRA1AADRA2B
SCHEMBL14042629 0.76 NISCH (0.46) PTGIRLMNAADRA2AHTR7ADRA1A
SCHEMBL14042574 0.76 LMNA (0.46) PTGIRLMNAADRA2AHTR7ADRA1A
SCHEMBL14042632 0.75 LMNA (0.44) PTGIRLMNAADRA2AHTR7ADRA1A
SCHEMBL949042 0.73 KDM4E (0.52) PTGIRLMNAADRA2AADRA1AADRA2B
SCHEMBL4788507 0.73 SLC6A2 (0.46) LMNAADRA2AADRA1AADRA2BADRA2C

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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