SCHEMBL7804335

SCHEMBL7804335

CC(C)(Oc1cccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.50
CCKAR P32238 8/20 0.49
SCN9A Q15858 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48
KMT2A Q03164 1/20 0.46
GRIN2B Q13224 1/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL7811390 0.90 GAA (0.73) TSHRGAAALDH1A1MAPK1RAB9A
SCHEMBL7811644 0.83 BCL9 (0.52) TSHRGAA
SCHEMBL7813655 0.82 MAPT (0.59) TSHRALDH1A1MAPK1MAPTHTR2A
SCHEMBL7817547 0.82 SMN1; SMN2 (0.62) TSHRGAAALDH1A1MAPK1RAB9A
SCHEMBL7810139 0.81 ALDH1A1 (0.54) TSHRALDH1A1MAPTKMT2ALMNA
SCHEMBL27324525 0.80 TSHR (0.77) TSHRGAAALDH1A1MAPK1RAB9A
SCHEMBL7814229 0.79 ALDH1A1 (0.46) TSHRGAAALDH1A1MAPK1RAB9A
SCHEMBL9011011 0.79 TSHR (0.62) TSHRGAAALDH1A1MAPK1RAB9A
SCHEMBL7811529 0.79 ALDH1A1 (0.56) TSHRGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7810133 0.78 GAA (0.51) TSHRGAAALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed