SCHEMBL6164027

SCHEMBL6164027

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C(=O)C(Cc2c[nH]c4ccccc24)NC(=O)C(C)(C)N)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 3/20 0.51
KCNAB1 Q14722 3/20 0.51
AIMP2 Q13155 2/20 0.48
MMP2 P08253 5/20 0.45
GHSR Q92847 5/20 0.45
MMP9 P14780 3/20 0.45
OPRM1 P35372 1/20 0.45
NR3C1 P04150 1/20 0.43
MMP1 P03956 1/20 0.42
MMP14 P50281 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL6164011 1.00 KCNA1 (0.51) KCNA1KCNAB1AIMP2MMP2GHSR
Hydrochloric Acid SCHEMBL6163810 0.99 KCNA1 (0.50) KCNA1KCNAB1AIMP2MMP2GHSR
Hydrochloric Acid SCHEMBL6163824 0.99 KCNA1 (0.50) KCNA1KCNAB1AIMP2MMP2GHSR
SCHEMBL6161161 0.97 KCNA1 (0.51) KCNA1KCNAB1AIMP2MMP2GHSR
SCHEMBL6161170 0.97 KCNA1 (0.51) KCNA1KCNAB1AIMP2MMP2GHSR
SCHEMBL6163256 0.89 TACR1 (0.46) KCNA1KCNAB1AIMP2MMP2MMP9
SCHEMBL6166126 0.87 TACR1 (0.46) KCNA1KCNAB1AIMP2MMP2MMP9
SCHEMBL6165094 0.85 GHSR (0.49) MMP2GHSRMMP9OPRM1
SCHEMBL6165098 0.85 GHSR (0.49) MMP2GHSRMMP9OPRM1
Hydrochloric Acid SCHEMBL6162898 0.85 GHSR (0.49) MMP2GHSRMMP9OPRM1

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 claimed