SCHEMBL27602235

SCHEMBL27602235

C=CC(n1cc(CC2CCNCC2)c2cc(F)ccc21)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ HTR6 P50406 5/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ TRPV4 Q9HBA0 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
SCHEMBL5726784 0.80 HTR6 (0.55) HTR2AHTR2CKCNH2SLC6A4HTR6
SCHEMBL27584423 0.77 HTR2A (0.42) HTR2AHTR2CKCNH2SLC6A4HTR6
SCHEMBL27602234 0.77 HTR2A (0.39) HTR2AHTR2CKCNH2SLC6A4HTR6
SCHEMBL27602140 0.70 HTR6 (0.44) HTR6
SCHEMBL5725993 0.68 HTR6 (0.71) SLC6A4HTR6
SCHEMBL5726234 0.68 HTR6 (0.70) SLC6A4HTR6DRD2
Hydrochloric Acid SCHEMBL27584383 0.67 HTR6 (0.69) HTR6DRD2
SCHEMBL27989535 0.67 OPRD1 (0.45) SLC6A4HTR6MAPTCHRM2CHRM1
SCHEMBL5726385 0.65 HTR6 (0.58) KCNH2HTR6
SCHEMBL27989545 0.65 ADAM17 (0.36) SLC6A4KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1492863-A Heterocyclylalkyl-indole or azaindole compounds as 5-hydroxytryptamine-6 ligands — 2004-04-28 — — CN claimed
CN-1492863-A Heterocyclylalkyl-indole or azaindole compounds as 5-hydroxytryptamine-6 ligands — 2004-04-28 — — CN disclosed
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