SCHEMBL6161457

SCHEMBL6161457

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(N)Cc2ccc4ccccc4c2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 4/20 0.47
KCNAB1 Q14722 4/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HDAC8 Q9BY41 6/20 0.44
F2 P00734 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
HDAC1 Q13547 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLG P00747 1/20 0.42

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
Hydrochloric Acid SCHEMBL6160849 0.99 DPP8 (0.47) KCNA1KCNAB1DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6169194 0.80 F2 (0.43) KCNA1KCNAB1F2PLGF10
SCHEMBL4771020 0.79 HDAC8 (0.68) KCNA1KCNAB1HDAC8HDAC1ALDH1A1
SCHEMBL4902572 0.79 HDAC8 (0.68) KCNA1KCNAB1HDAC8HDAC1ALDH1A1
SCHEMBL6161443 0.79 P2RX7 (0.47) F2ALDH1A1F10
SCHEMBL5556801 0.78 HDAC8 (0.70) DPP4DPP8DPP9DPP7HDAC8
SCHEMBL27463800 0.78 F2 (0.41) KCNA1KCNAB1F2DRD2HTR2A
SCHEMBL6161455 0.74 CHEK2 (0.44) HDAC8F2DRD2HTR2AHTR2C
SCHEMBL4796773 0.72 HDAC8 (0.65) HDAC8HDAC1ALDH1A1LMNA
SCHEMBL4796767 0.72 HDAC8 (0.65) HDAC8HDAC1ALDH1A1LMNA

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed