SCHEMBL3986065

SCHEMBL3986065

CC(C)S(=O)(=O)N1CCN(CC(O)CN2C3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
HTR4 Q13639 6/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL3983379 1.00 HRH3 (0.32) HRH3HTR4USP2ALDH1A1LMNA
SCHEMBL1022505 0.90 HTR4 (0.37) HTR4
SCHEMBL1021565 0.90 HTR4 (0.37) HTR4
SCHEMBL2980596 0.90 HTR4 (0.37) HTR4
SCHEMBL1022503 0.90 HTR4 (0.37) HTR4
SCHEMBL3983380 0.87 KDM4E (0.38) USP2ALDH1A1LMNA
SCHEMBL3986069 0.87 KDM4E (0.38) USP2ALDH1A1LMNA
SCHEMBL2975908 0.84 PIK3CD (0.37) USP2ALDH1A1
SCHEMBL2975909 0.84 PIK3CD (0.37) USP2ALDH1A1
SCHEMBL2965770 0.84 PIK3CD (0.37) USP2ALDH1A1

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
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP disclosed