SCHEMBL6166126

SCHEMBL6166126

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[C@@H](Cc2c[nH]c4ccccc24)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
AIMP2 Q13155 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA1 Q09470 2/20 0.44
KCNAB1 Q14722 2/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 3/20 0.41
MCL1 Q07820 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NR3C1 P04150 1/20 0.40

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
SCHEMBL6163256 0.97 TACR1 (0.46) TACR1AIMP2MAPTSMN1; SMN2KCNA1
SCHEMBL6161170 0.89 KCNA1 (0.51) AIMP2KCNA1KCNAB1MMP2MMP9
SCHEMBL6161161 0.89 KCNA1 (0.51) AIMP2KCNA1KCNAB1MMP2MMP9
SCHEMBL6161694 0.89 MEN1 (0.45) TACR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6164027 0.87 KCNA1 (0.51) AIMP2KCNA1KCNAB1MMP2MMP9
SCHEMBL6164011 0.87 KCNA1 (0.51) AIMP2KCNA1KCNAB1MMP2MMP9
Hydrochloric Acid SCHEMBL6163810 0.86 KCNA1 (0.50) AIMP2KCNA1KCNAB1MMP2MMP9
Hydrochloric Acid SCHEMBL6163824 0.86 KCNA1 (0.50) AIMP2KCNA1KCNAB1MMP2MMP9
SCHEMBL6163388 0.86 MEN1 (0.46) TACR1MAPTSMN1; SMN2MMP9MEN1
SCHEMBL6163376 0.86 MEN1 (0.46) TACR1MAPTSMN1; SMN2MMP9MEN1

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