SCHEMBL1670840

SCHEMBL1670840

C[S+]([O-])N1CCC(c2cc(F)c(OC3CCN(Cc4ccc(C(F)(F)F)cc4)C3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 3/20 0.38
MCHR1 Q99705 1/20 0.38
ADRB2 P07550 1/20 0.37
PIK3CA P42336 2/20 0.37
PRKAA2 P54646 2/20 0.37
KCNH2 Q12809 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DRD4 P21917 1/20 0.35
PDE2A O00408 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL12198419 0.86 ADRB2 (0.46) TEAD1BCHEACHEBACE1ADRB2
SCHEMBL1668262 0.84 KDM4E (0.48) TEAD1BCHEACHEBACE1ADRB2
SCHEMBL1668670 0.81 HTR2C (0.35) BCHEACHEBACE1ADRB2PIK3CA
SCHEMBL1669073 0.80 PPARD (0.39) KCNH2GPR119KDM4EALDH1A1
SCHEMBL1668306 0.80 KMT2A (0.43) ACHEMCHR1DRD4
SCHEMBL1668410 0.78 KDM4E (0.49) PIK3CAPRKAA2KCNH2GPR119KDM4E
SCHEMBL12198321 0.78 KDM4E (0.52) TEAD1ADRB2PIK3CAPRKAA2KCNH2
SCHEMBL12198420 0.77 KDM4E (0.50) TEAD1BCHEACHEBACE1ADRB2
SCHEMBL1671394 0.76 EPHX2 (0.46) PIK3CAPRKAA2KCNH2GPR119KDM4E
SCHEMBL1668787 0.75 KDM4E (0.51) TEAD1BCHEACHEBACE1ADRB2

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