SCHEMBL4788240

SCHEMBL4788240

COc1cccc(CC(NC2=NCCN2)c2ccccc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ ADRA2C P18825 2/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ PTGIR P43119 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ NISCH Q9Y2I1 4/20 0.38
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38

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 0.91 CYP2D6 (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14042571 0.86 PTGIR (0.39) ADRA2AADRA2BADRA2CADRA1APTGIR
SCHEMBL3430372 0.82 WDR5 (0.42) PTGIRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14042623 0.82 PTGIR (0.47) ADRA2AADRA2BADRA2CPTGIRNISCH
SCHEMBL14042628 0.78 NISCH (0.50) ADRA2AADRA2BADRA2CADRA1ASLC6A2
SCHEMBL14042574 0.78 LMNA (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14042629 0.78 NISCH (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14042632 0.77 LMNA (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL560769 0.77 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL949042 0.76 KDM4E (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 claimed
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