SCHEMBL4015630

SCHEMBL4015630

O=S(=O)(c1cccc(F)c1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.50
▸ HTR2C P28335 7/20 0.44
▸ HTR2A P28223 6/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ HTR6 P50406 4/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ KCNH2 Q12809 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ COMT P21964 1/20 0.42
▸ GPR6 P46095 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRIA4 P48058 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
SCHEMBL28875078 0.93 HTR2C (0.47) DRD2HTR2CHTR2APSEN1PSEN2
SCHEMBL12184749 0.85 HTR2C (0.51) HTR2CHTR2APSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL20524629 0.83 HTR2C (0.50) HTR2CHTR2APSEN1PSEN2APH1B
SCHEMBL15624597 0.83 FFAR4 (0.47) DRD2HTR2CHTR2APSEN1PSEN2
SCHEMBL14648626 0.79 LMNA (0.55) DRD2HTR6ALDH1A1POLBSMN1; SMN2
SCHEMBL12334568 0.79 MBTD1 (0.49) DRD2HTR2AHTR6FFAR4
SCHEMBL4628305 0.79 DRD2 (0.47) DRD2HTR2CHTR2AFFAR4KCNH2
SCHEMBL19707178 0.79 DRD2 (0.47) DRD2HTR6FFAR4POLBCOMT
SCHEMBL2423283 0.78 CA1 (0.51) DRD2POLB
SCHEMBL29951042 0.78 DRD2 (0.44) DRD2FFAR4ALDH1A1COMT

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
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed
Send feedback