SCHEMBL6820261

SCHEMBL6820261

CC(=O)[N]CC1=C(c2ccc(Cl)cc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1B1 P15121 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL6820217 0.90 AKR1B1 (0.33) FPR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL6820718 0.86 KMT2A (0.36) LMNAALDH1A1KDM4ETP53HSD11B1
SCHEMBL5966734 0.82 KDM4E (0.35) LMNAALDH1A1KDM4E
SCHEMBL5963772 0.81 AKR1B1 (0.33) FPR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5963589 0.81 SLC6A4 (0.38) FPR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5963305 0.81 SLC6A3 (0.39) FPR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL6820213 0.81 AKR1B1 (0.39) FPR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5001009 0.80 GALR1 (0.33) ALDH1A1AKR1B1PDE7A
SCHEMBL6817306 0.80 ALDH1A1 (0.38) ALDH1A1CYP2C9CYP2C19
SCHEMBL5964210 0.79 AKR1B1 (0.34) FPR2LMNAALDH1A1CYP3A4CYP2C9

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-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed