SCHEMBL8818817

SCHEMBL8818817

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(OCCN4CCOCC4)cc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.53
▸ DHODH Q02127 1/20 0.49
▸ LTA4H P09960 2/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ RUNX1 Q01196 1/20 0.40

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
SCHEMBL8814893 0.92 ACHE (0.51) ACHEDHODHLTA4HADORA2AADORA1
SCHEMBL8817571 0.91 ACHE (0.52) ACHEDHODHLTA4HADORA2AADORA1
SCHEMBL8816605 0.91 ACHE (0.52) ACHEDHODHLTA4HADORA2AADORA1
SCHEMBL8082562 0.85 DRD1 (0.47) ACHEDHODHLTA4HADORA2AADORA1
SCHEMBL8891323 0.83 DHODH (0.42) DHODHNPC1RAB9A
SCHEMBL8818920 0.83 DHODH (0.42) DHODHNPC1RAB9A
SCHEMBL8818678 0.81 DYRK3 (0.48) ACHEDHODHLTA4HADORA2AADORA1
SCHEMBL8819001 0.81 CHEK2 (0.44) ACHEDHODHLTA4HNPC1RAB9A
SCHEMBL8816926 0.80 ACHE (0.41) ACHEDHODHLTA4HNPC1RAB9A
SCHEMBL8082476 0.80 ACHE (0.49) ACHEDHODHLTA4HADORA2AADORA1

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-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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