SCHEMBL4439148

SCHEMBL4439148

CON=C(CCCC1CCN(C(C)(C)C)CC1)c1ccc2c(c1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HRH3 Q9Y5N1 4/20 0.39
MCHR1 Q99705 2/20 0.39
OPRK1 P41145 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL3186658 0.89 KDM2B (0.44) KDM2BESR1ESR2HRH3MCHR1
SCHEMBL3186668 0.89 KDM2B (0.44) KDM2BESR1ESR2HRH3MCHR1
SCHEMBL3184691 0.88 GPR119 (0.50) KDM2BGPR119
SCHEMBL3184694 0.88 GPR119 (0.50) KDM2BGPR119
SCHEMBL3181205 0.79 GPR119 (0.51) KDM2BGPR119
SCHEMBL3181200 0.79 GPR119 (0.51) KDM2BGPR119
SCHEMBL3184499 0.79 KDM2B (0.46) KDM2BESR1ESR2MCHR1OPRK1
SCHEMBL3184507 0.79 KDM2B (0.46) KDM2BESR1ESR2MCHR1OPRK1
SCHEMBL4434244 0.76 HRH3 (0.53) KDM2BESR1ESR2HRH3LMNA
SCHEMBL13531841 0.75 MCHR1 (0.53) KDM2BESR1ESR2MCHR1HDAC6

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-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed