SCHEMBL6161455

SCHEMBL6161455

NC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[CH]Cc2ccc4ccccc4c2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
GPR27 Q9NS67 1/20 0.44
TMPRSS2 O15393 1/20 0.43
F2 P00734 3/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTR6 P50406 3/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
F10 P00742 3/20 0.41
NR3C1 P04150 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL6161457 0.74 KCNA1 (0.47) F2LMNASMN1; SMN2ALDH1A1HTR6
Hydrochloric Acid SCHEMBL6160849 0.73 DPP8 (0.47) F2LMNASMN1; SMN2ALDH1A1HTR6
SCHEMBL24490308 0.70 HTR6 (0.50) LMNASMN1; SMN2ALDH1A1GAAHTR6
SCHEMBL9959550 0.66 NLRP3 (0.50) TMPRSS2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3081178 0.64 MEN1 (0.65) ALDH1A1HTR6HDAC3HDAC4HDAC1
SCHEMBL5452240 0.64 TMPRSS6 (0.73) CHEK2SMN1; SMN2ALDH1A1POLB
SCHEMBL3153735 0.64 ESR2 (0.53) TMPRSS2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL19329406 0.64 ALDH1A1 (0.75) LMNASMN1; SMN2ALDH1A1GAAHDAC3
SCHEMBL29135073 0.63 AR (0.57) CHEK2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3563084 0.63 SLC16A3 (0.75) GPR27LMNASMN1; SMN2ALDH1A1GAA

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