SCHEMBL1668670

SCHEMBL1668670

[O-][S+](C1CCNCC1)N1CCC(c2cc(F)c(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
PIK3CA P42336 3/20 0.34
PRKAA2 P54646 3/20 0.34
PRMT5 O14744 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PDE2A O00408 1/20 0.32
ADRB2 P07550 1/20 0.32
KDM1A O60341 3/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL1668229 0.82 CNR1 (0.37) HTR2CPIK3CAPRKAA2PRMT5KDM4E
SCHEMBL1670840 0.81 TEAD1 (0.38) PIK3CAPRKAA2KDM4EALDH1A1PRKAB2
SCHEMBL1668675 0.79 CNR1 (0.36) HTR2CPIK3CAPRKAA2KDM4EALDH1A1
SCHEMBL1668410 0.77 KDM4E (0.49) PIK3CAPRKAA2KDM4EALDH1A1
SCHEMBL12198419 0.75 ADRB2 (0.46) KDM4EALDH1A1PDE2AADRB2BCHE
SCHEMBL1671394 0.75 EPHX2 (0.46) PIK3CAPRKAA2KDM4EALDH1A1
SCHEMBL1668510 0.73 HIF1A (0.38) PIK3CAPRKAA2KDM4EALDH1A1ADRB2
SCHEMBL1668754 0.73 EPHX2 (0.40) PIK3CAPRKAA2KDM4EALDH1A1ADRB2
SCHEMBL1669073 0.72 PPARD (0.39) KDM4EALDH1A1
SCHEMBL1668262 0.72 KDM4E (0.48) PIK3CAPRKAA2KDM4EALDH1A1ADRB2

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-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed