SCHEMBL8701948

SCHEMBL8701948

Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)c(CNN3CCCCC3c3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.42
DRD3 P35462 10/20 0.42
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TACR1 P25103 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MCOLN3 Q8TDD5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34

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
Hydrochloric Acid SCHEMBL8707079 0.99 DRD2 (0.41) DRD2DRD3HTTNPSR1L3MBTL1
SCHEMBL8708219 0.91 DRD2 (0.48) DRD2DRD3HTTNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL8702405 0.90 DRD2 (0.48) DRD2DRD3HTTNPSR1L3MBTL1
SCHEMBL8701301 0.88 TACR1 (0.47) DRD2DRD3L3MBTL1TACR1
Hydrochloric Acid SCHEMBL8702145 0.88 TACR1 (0.47) DRD2DRD3L3MBTL1TACR1ALDH1A1
SCHEMBL8701076 0.83 TACR1 (0.38) DRD2DRD3L3MBTL1TACR1LMNA
Hydrochloric Acid SCHEMBL8701615 0.83 TACR1 (0.38) DRD2DRD3L3MBTL1TACR1LMNA
SCHEMBL8703805 0.80 TACR1 (0.47) DRD2DRD3TACR1GAA
Hydrochloric Acid SCHEMBL8701137 0.79 TACR1 (0.47) DRD2DRD3TACR1GAA
SCHEMBL8701388 0.79 TACR1 (0.58) DRD2DRD3TACR1GAA

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
US-5721255-A Substituted benzylamino nitrogen containing non-aromatic heterocycles PFIZER INC. (US) 1998-02-24 US claimed