SCHEMBL21470488

SCHEMBL21470488

CC1c2cc(Oc3ccnc4c3cc(C3CC3)n4S(=O)(=O)c3ccccc3)ccc2CCN1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.34
▸ DRD3 P35462 5/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.32
▸ MET P08581 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ DRD2 P14416 3/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL23327045 0.90 TAS2R14 (0.35) HTR6DRD3TAS2R14HRH3AKR1C3
SCHEMBL21470487 0.86 GHSR (0.36) HTR6TAS2R14GPR119
SCHEMBL23326996 0.78 TAS2R14 (0.36) TAS2R14AKR1C3
SCHEMBL23327005 0.77 TAS2R14 (0.35) TAS2R14HRH3AKR1C3
SCHEMBL23326955 0.75 TAS2R14 (0.35) TAS2R14AKR1C3
SCHEMBL21470704 0.75 GHSR (0.37) TAS2R14
SCHEMBL23326956 0.75 TAS2R14 (0.35) TAS2R14AKR1C3
SCHEMBL23353650 0.75 GHSR (0.36) TAS2R14
SCHEMBL23353525 0.74 GHSR (0.38) HTR6TAS2R14
SCHEMBL21470771 0.74 GHSR (0.37) HTR6TAS2R14

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-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO disclosed
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