SCHEMBL6663277

SCHEMBL6663277

CC(O)C(Oc1ccc(F)cc1F)N(c1ncnc2scc(-c3ccccc3)c12)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRB3 P13945 11/20 0.39
ADRB2 P07550 6/20 0.39
ADRB1 P08588 6/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
FGFR1 P11362 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MET P08581 1/20 0.36
MST1R Q04912 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6666112 0.89 ADRB3 (0.44) ADRB3ADRB2ADRB1CSNK2A2CSNK2B
SCHEMBL6667993 0.88 CSNK2A2 (0.40) ADRB3ADRB2ADRB1CSNK2A2CSNK2B
SCHEMBL6664721 0.86 ADRB3 (0.45) ADRB3ADRB2ADRB1CSNK2A2CSNK2B
SCHEMBL6668266 0.85 ADRB3 (0.38) MAPTNPSR1ADRB3ADRB2ADRB1
SCHEMBL6667655 0.85 POLB (0.42) MAPTNPSR1ADRB3ADRB2ADRB1
SCHEMBL6663327 0.84 ADRB3 (0.41) MAPTNPSR1ADRB3ADRB2ADRB1
SCHEMBL6668018 0.84 ADRB3 (0.39) ADRB3ADRB2ADRB1CSNK2A2CSNK2B
SCHEMBL6663586 0.83 ADRB3 (0.41) MAPTADRB3ADRB2ADRB1CSNK2A2
SCHEMBL6666922 0.83 ADRB3 (0.41) MAPTNPSR1ADRB3ADRB2ADRB1
SCHEMBL6665618 0.82 ADRB3 (0.39) MAPTNPSR1ADRB3ADRB2ADRB1

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
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 WO claimed